Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1027286 | 0.81 | ALDH1A1 (0.50) | CYP2A6ALDH1A1HPGDLMNATSHR | |
| SCHEMBL18386658 | 0.75 | MIF (0.46) | ALDH1A1HPGDHSD17B10MAPK1MAPT | |
| SCHEMBL16172323 | 0.71 | KCNH2 (0.36) | ALDH1A1HPGDHSD17B10MAPK1MAPT | |
| SCHEMBL5252911 | 0.69 | ALDH1A1 (0.47) | ALDH1A1HPGDMAPTRAB9ANPC1 | |
| SCHEMBL31711447 | 0.69 | CYP2A6 (0.53) | CYP2A6ALDH1A1HPGDHSD17B10PTGER4 | |
| SCHEMBL2713434 | 0.69 | CYP2A6 (0.53) | CYP2A6ALDH1A1HPGDHSD17B10PTGER4 | |
| SCHEMBL19512778 | 0.68 | CYP2A6 (0.45) | CYP2A6ALDH1A1HPGDLMNATSHR | |
| SCHEMBL8698045 | 0.67 | ALDH1A1 (0.56) | ALDH1A1HPGDHSD17B10MAPK1MAPT | |
| SCHEMBL18720407 | 0.66 | CYP2A6 (0.50) | CYP2A6ALDH1A1HPGDHSD17B10PTGER4 | |
| SCHEMBL1525859 | 0.66 | ALDH1A1 (0.55) | CYP2A6ALDH1A1HPGDHSD17B10MAPT |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-20140309427-A1 | Substituted Pyran Derivatives | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2014-10-16 | — | — | US | disclosed |
| US-20140309427-A1 | Substituted Pyran Derivatives | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2014-10-16 | — | — | US | disclosed |
| US-20140309427-A1 | Substituted Pyran Derivatives | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2014-10-16 | — | — | US | disclosed |
| EP-1359908-B1 | QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS | SMITHKLINE BEECHAM PLC (GB) | 2007-08-22 | — | — | EP | disclosed |
| US-7205408-B2 | Quinolines and nitrogenated derivative thereof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents | SMITHKLINE BEECHAM, P.L.C. (GB) | 2007-04-17 | — | — | 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-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-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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 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 | CYP2A6 219/4885ALDH1A1 772/4885HPGD 686/4885 |
| US-20140309427-A1 | Substituted Pyran Derivatives | SLC18A2, SLC6A4, SLC6A3 | CYP2A6 219/4885ALDH1A1 772/4885HPGD 686/4885 |
| 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 | CYP2A6 1885/4885ALDH1A1 1742/4885HPGD 746/4885 |
“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.