Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3829686 | 0.99 | ALDH1A1 (0.54) | ALDH1A1KDM4ETSHRHSD17B10KMT2A | |
| SCHEMBL3832557 | 0.83 | MAPT (0.60) | ALDH1A1KDM4ETSHRHSD17B10KMT2A | |
| SCHEMBL3826897 | 0.80 | MEN1 (0.55) | ALDH1A1KDM4ETSHRHSD17B10KMT2A | |
| SCHEMBL3833776 | 0.80 | CYP2C19 (0.60) | ALDH1A1KDM4ETSHRHSD17B10KMT2A | |
| SCHEMBL3829146 | 0.80 | MAPT (0.64) | ALDH1A1KDM4EKMT2ANPC1RAB9A | |
| SCHEMBL3826668 | 0.80 | CYP3A4 (0.58) | ALDH1A1KDM4ETSHRHSD17B10KMT2A | |
| SCHEMBL4857823 | 0.80 | ALDH1A1 (0.55) | ALDH1A1TSHRKMT2ACYP3A4CYP2D6 | |
| SCHEMBL3829911 | 0.79 | POLB (0.52) | ALDH1A1KDM4ETSHRHSD17B10KMT2A | |
| SCHEMBL3826714 | 0.79 | ALDH1A1 (0.54) | ALDH1A1KDM4EKMT2ANPC1CYP3A4 | |
| SCHEMBL3831429 | 0.79 | LMNA (0.58) | ALDH1A1KDM4ETSHRHSD17B10KMT2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1578737-B1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV THERAPEUTICS INC (US) | 2009-09-16 | — | — | EP | disclosed |
| US-7566717-B2 | Substituted heterocyclic compounds | GILEAD SCIENCES, INC. (US) | 2009-07-28 | — | — | US | disclosed |
| US-20080275238-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | PALLE VENKATA | 2008-11-06 | — | — | US | disclosed |
| US-20070155728-A1 | Substituted Heterocyclic Compounds | PALLE VENKATA | 2007-07-05 | — | — | US | disclosed |
| US-7205303-B2 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. (US) | 2007-04-17 | — | — | US | disclosed |
| EP-1578737-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2005-09-28 | — | — | EP | disclosed |
| US-20040176356-A1 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. | 2004-09-09 | — | — | US | disclosed |
| WO-2004063180-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2004-07-29 | — | — | 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-20040176356-A1 | Substituted heterocyclic compounds | KCNH1, KCNJ2, SCN5A | ALDH1A1 215/4885KDM4E 3425/4885TSHR 4124/4885 |
| US-20080275238-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | KCNH1, SDHA, COQ8A | ALDH1A1 281/4885KDM4E 2949/4885TSHR 3785/4885 |
| US-20070155728-A1 | Substituted Heterocyclic Compounds | KCNH1, SDHA, COQ8A | ALDH1A1 281/4885KDM4E 2949/4885TSHR 3785/4885 |
“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.