Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5843905 | 0.90 | SLC6A4 (0.38) | CYP19A1CYP11B2ROCK2ROCK1CDC42BPA | |
| SCHEMBL5842929 | 0.90 | SLC6A4 (0.38) | CYP19A1CYP11B2ROCK2ROCK1CDC42BPA | |
| SCHEMBL5843901 | 0.90 | SLC6A4 (0.38) | CYP19A1CYP11B2ROCK2ROCK1CDC42BPA | |
| SCHEMBL57120 | 0.79 | IDO1 (0.53) | EPHX1MAPTL3MBTL1IDO1 | |
| SCHEMBL8909655 | 0.78 | CYP11B2 (0.47) | CYP19A1CYP11B2MAPTSLC6A2SLC6A4 | |
| SCHEMBL497969 | 0.77 | IDO1 (0.50) | MAPTL3MBTL1IDO1 | |
| SCHEMBL10985075 | 0.76 | CHRM1 (0.41) | EPHX1SLC6A2SLC6A4 | |
| SCHEMBL23882954 | 0.76 | DHODH (0.50) | CYP19A1AKT1MAPK1CYP11B2DAPK3 | |
| SCHEMBL18823394 | 0.76 | CYP19A1 (0.49) | CYP19A1AKT1MAPK1CYP11B2DAPK3 | |
| SCHEMBL22984539 | 0.76 | DHODH (0.50) | CYP19A1AKT1MAPK1CYP11B2DAPK3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5622953-A | DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG | BASF AKTIENGESELLSCHAFT (DE) | 1997-04-22 | — | — | US | disclosed |
| EP-0691962-A1 | 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE | BASF AKTIENGESELLSCHAFT (DE) | 1996-01-17 | — | — | EP | disclosed |
| WO-1994022842-A1 | 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE | BASF AKTIENGESELLSCHAFT (DE) | 1994-10-13 | — | — | WO | disclosed |