Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | SLC12A2 | P55011 | 1/20 | 0.47 |
| ▸ | SLC12A5 | Q9H2X9 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.45 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | SNCA | P37840 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9968477 | 0.89 | ALDH1A1 (0.43) | ALDH1A1LMNAGAAMAPTSLC12A2 | |
| SCHEMBL9941200 | 0.82 | POLB (0.59) | ALDH1A1LMNAMAPTCYP1A2CYP3A4 | |
| SCHEMBL9968581 | 0.77 | KDM4E (0.43) | ALDH1A1LMNAMAPTCYP19A1MAPK1 | |
| SCHEMBL9968618 | 0.74 | KMT2A (0.47) | ALDH1A1LMNAMAPTCYP19A1MAPK1 | |
| SCHEMBL9942828 | 0.72 | POLB (0.55) | ALDH1A1LMNAMAPTCYP1A2CYP3A4 | |
| SCHEMBL9968569 | 0.69 | MAPK1 (0.44) | ALDH1A1LMNAMAPTMAPK1HPGD | |
| SCHEMBL13497998 | 0.69 | MAPT (0.49) | ALDH1A1LMNAGAAMAPTCYP19A1 | |
| SCHEMBL13497999 | 0.69 | MAPT (0.49) | ALDH1A1MAPTCYP19A1CYP1A2CYP3A4 | |
| SCHEMBL6078727 | 0.68 | CYP19A1 (0.50) | LMNAMAPTCYP19A1CA2POLB | |
| SCHEMBL15682651 | 0.68 | KEAP1 (0.64) | ALDH1A1LMNASLC12A2SLC12A5CYP19A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012082862-A2 | ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF | BETH ISRAEL DEACONESS MEDICAL CENTER (US) | 2012-06-21 | — | — | WO | disclosed |