Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.59 |
| ▸ | ACHE | P22303 | 1/20 | 0.59 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.44 |
| ▸ | ADK | P55263 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13581190 | 0.84 | ALDH1A1 (0.56) | BCHEACHEAPPCA12CA1 | |
| SCHEMBL5377066 | 0.84 | ALDH1A1 (0.56) | BCHEACHEAPPCA12CA1 | |
| SCHEMBL17942375 | 0.81 | ALDH1A1 (0.44) | BCHEACHEAPPCA12CA1 | |
| SCHEMBL11601101 | 0.80 | ALDH1A1 (0.56) | APPMAOBMAOAALDH1A1MEN1 | |
| SCHEMBL28526426 | 0.80 | APP (0.72) | BCHEACHEAPPMAOBMAOA | |
| SCHEMBL9061480 | 0.79 | BCHE (0.56) | BCHEACHEALDH1A1MAPTTSHR | |
| SCHEMBL91415 | 0.78 | GPR3 (0.53) | BCHEACHEALDH1A1MAPTTSHR | |
| SCHEMBL28944627 | 0.78 | BCHE (0.56) | BCHEACHECA12CA1CA2 | |
| SCHEMBL30745872 | 0.78 | EPHX1 (0.52) | CA12CA1CA2CA9EPHX1 | |
| SCHEMBL12952784 | 0.78 | MAPT (0.47) | BCHEACHECA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0607400-B1 | Fluorinated 17-beta substituted-4-aza-5-alpha- andostran-3one derivatives. | PHARMACIA & UPJOHN SPA (IT) | 1997-11-05 | — | — | EP | claimed |
| EP-0634401-B1 | MDR reversal agents | AMERICAN CYANAMID CO (US) | 1997-08-13 | — | — | EP | disclosed |
| US-5639887-A | MULTIDRUG RESISTANT CELLS; INCREASE CELL SENSITIVITY TO ANTICANCER AGENTS | AMERICAN CYANAMID COMPANY (US) | 1997-06-17 | — | — | US | disclosed |
| US-5561141-A | POTENTIATE ACTIVITY OF ANTITUMOR AGENTS | AMERICAN CYANAMID COMPANY (US) | 1996-10-01 | — | — | US | disclosed |
| US-5550149-A | SULFUR-CONTAINING COMPOUNDS THAT ARE EFFECTIVE IN POTENTIATING THE ACTIVITY OF CHEMOTHERAPEUTIC ANTI-CANCER AGENTS BY INCREASING SENSITIVITY OF MULTI-DRUG RESISTANT CELLS | AMERICAN CYANAMID COMPANY (US) | 1996-08-27 | — | — | US | disclosed |
| US-5387685-A | MDR reversal agents | AMERICAN CYANAMID COMPANY | 1995-02-07 | — | — | US | disclosed |
| EP-0634401-A1 | MDR reversal agents | AMERICAN CYANAMID COMPANY (US) | 1995-01-18 | — | — | EP | disclosed |