Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 7/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19512778 | 0.86 | CYP2A6 (0.45) | ALDH1A1HPGDPKMTSHRPOLB | |
| SCHEMBL5258739 | 0.81 | CYP2A6 (0.44) | ALDH1A1HPGDPKMTSHRKDM4E | |
| Cyanide SCHEMBL22130058 | 0.77 | LMNA (0.45) | ALDH1A1HPGDPKMTSHRPOLB | |
| SCHEMBL1025445 | 0.77 | PKM (0.58) | ALDH1A1HPGDPKMTSHRPOLB | |
| SCHEMBL9464080 | 0.76 | LMNA (0.43) | ALDH1A1HPGDPKMTSHRPOLB | |
| SCHEMBL6348798 | 0.75 | ALDH1A1 (0.53) | ALDH1A1HPGDPKMTSHRPOLB | |
| SCHEMBL5536572 | 0.75 | PKM (0.59) | ALDH1A1HPGDPKMTSHRPOLB | |
| SCHEMBL3045237 | 0.75 | ALDH1A1 (0.53) | ALDH1A1HPGDPKMTSHRPOLB | |
| SCHEMBL2308656 | 0.75 | PKM (0.59) | ALDH1A1HPGDPKMTSHRPOLB | |
| SCHEMBL29878389 | 0.75 | ALDH1A1 (0.53) | ALDH1A1HPGDPKMTSHRPOLB |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220106327-A1 | INHIBITORS OF APOL1 AND METHODS OF USING SAME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-07 | — | — | US | disclosed |
| US-9902710-B2 | Substituted 6, 7-dialkoxy-3-isoquinoline derivatives as inhibitors of phosphodiesterase 10 (PDE 10A) | EXONHIT THERAPEUTICS, SA (FR) | 2018-02-27 | — | — | US | disclosed |
| US-20170015645-A1 | SUBSTITUTED PYRAN DERIVATIVES | UNIV WAYNE STATE (US) | 2017-01-19 | — | — | US | disclosed |
| US-20170015645-A1 | SUBSTITUTED PYRAN DERIVATIVES | UNIV WAYNE STATE (US) | 2017-01-19 | — | — | US | disclosed |
| US-20170015645-A1 | SUBSTITUTED PYRAN DERIVATIVES | UNIV WAYNE STATE (US) | 2017-01-19 | — | — | US | disclosed |
| US-9458124-B2 | Substituted pyran derivatives | WAYNE STATE UNIVERSITY (US) | 2016-10-04 | — | — | US | disclosed |
| US-9458124-B2 | Substituted pyran derivatives | WAYNE STATE UNIVERSITY (US) | 2016-10-04 | — | — | US | disclosed |
| US-9458124-B2 | Substituted pyran derivatives | WAYNE STATE UNIVERSITY (US) | 2016-10-04 | — | — | US | disclosed |
| US-20160264549-A1 | SUBSTITUTED 6, 7-DIALKOXY-3-ISOQUINOLINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) | EXONHIT THERAPEUTICS, SA (FR) | 2016-09-15 | — | — | US | disclosed |
| US-9200016-B2 | Substituted 6, 7-dialkoxy-3-isoquinoline derivatives as inhibitors of phosphodiesterase 10 (PDE 10A) | ALLERGAN, INC. (US) | 2015-12-01 | — | — | US | disclosed |
| US-7141564-B2 | Nitrogen-containing bicyclic heterocycles for use as antibacterials | SMITHKLINE BEECHAM P.L.C. (GB) | 2006-11-28 | — | — | US | disclosed |
| US-20040171620-A1 | Nitrogen-containing bicyclic heterocycles for use as antibacterials | SMITHKLINE BEECHAM P.L.C. (GB) | 2004-09-02 | — | — | US | disclosed |
| US-20040138219-A1 | Quinolines and nitrogenated derivative therof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents | SMITHKLINE BEECHAM P.L.C. (GB) | 2004-07-15 | — | — | US | disclosed |
| EP-1399443-A1 | NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS | SMITHKLINE BEECHAM PLC (GB) | 2004-03-24 | — | — | EP | disclosed |
| EP-1359908-A1 | QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS | SMITHKLINE BEECHAM PLC (GB) | 2003-11-12 | — | — | EP | disclosed |
| WO-2003087098-A1 | NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS | SMITHKLINE BEECHAM P.L.C. (GB) | 2003-10-23 | — | — | WO | disclosed |
| WO-2002056882-A1 | QUINOLINES AND NITROGENATED DERIVAIVE THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-07-25 | — | — | WO | disclosed |
| EP-0841330-B1 | Aminomethyl heterocyclic derivatives, process of their preparation and pharmaceutical compositions containing them | ADIR (FR) | 2001-06-27 | — | — | EP | disclosed |
| US-5919784-A | ANXIETY, DEPRESSION | ADIR ET COMPAGNIE (FR) | 1999-07-06 | — | — | US | disclosed |
| EP-0841330-A1 | Aminomethyl heterocyclic derivatives, process of their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1998-05-13 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170015645-A1 | SUBSTITUTED PYRAN DERIVATIVES | SLC18A2, SLC6A4, SLC6A3 | ALDH1A1 772/4885HPGD 686/4885PKM 312/4885 |
| US-20040171620-A1 | Nitrogen-containing bicyclic heterocycles for use as antibacterials | NRDC, NUCB2, NDC1 | ALDH1A1 3787/4885HPGD 58/4885PKM 4251/4885 |
| US-20220106327-A1 | INHIBITORS OF APOL1 AND METHODS OF USING SAME | APOL1, PNLIP, APOB | ALDH1A1 3889/4885HPGD 2560/4885PKM 2510/4885 |
| US-20160264549-A1 | SUBSTITUTED 6, 7-DIALKOXY-3-ISOQUINOLINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) | PDE9A, PDE10A, PDE6A | ALDH1A1 186/4885HPGD 1716/4885PKM 1000/4885 |
| US-20040138219-A1 | Quinolines and nitrogenated derivative therof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents | NCF1, TEAD1, TYMS | ALDH1A1 1742/4885HPGD 746/4885PKM 4395/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.