Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | DRD4 | P21917 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4494539 | 0.99 | ALDH1A1 (0.57) | ALDH1A1CHRM3KDM4ECYP3A4HPGD | |
| SCHEMBL27891189 | 0.80 | KMT2A (0.58) | ALDH1A1CHRM3KDM4EGAASIGMAR1 | |
| SCHEMBL1462492 | 0.79 | MEN1 (0.59) | CHRM3KDM4EGAAKMT2AMEN1 | |
| SCHEMBL6865166 | 0.78 | SIGMAR1 (0.67) | ALDH1A1GAASIGMAR1KMT2AMEN1 | |
| SCHEMBL11968938 | 0.78 | KMT2A (0.56) | ALDH1A1KDM4EGAAKMT2AMEN1 | |
| SCHEMBL3838578 | 0.77 | KMT2A (0.70) | ALDH1A1KDM4EGAAKMT2AMEN1 | |
| SCHEMBL24580906 | 0.76 | SIGMAR1 (0.59) | ALDH1A1CHRM3CYP3A4HPGDCYP2C19 | |
| SCHEMBL10746494 | 0.76 | GAA (0.82) | ALDH1A1KDM4EGAAKMT2AMEN1 | |
| SCHEMBL2796836 | 0.76 | GAA (0.82) | ALDH1A1KDM4EGAAKMT2AMEN1 | |
| SCHEMBL4501436 | 0.75 | KDM4E (0.57) | ALDH1A1KDM4ERAB9AGAAKMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 215/4885CHRM3 1296/4885KDM4E 3425/4885 |
| US-20080275238-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | KCNH1, SDHA, COQ8A | ALDH1A1 281/4885CHRM3 1532/4885KDM4E 2949/4885 |
| US-20070155728-A1 | Substituted Heterocyclic Compounds | KCNH1, SDHA, COQ8A | ALDH1A1 281/4885CHRM3 1532/4885KDM4E 2949/4885 |
“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.