Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 3/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8600782 | 1.00 | NPC1 (0.52) | NPC1RAB9ACA2ACHEALDH1A1 | |
| SCHEMBL8601704 | 1.00 | NPC1 (0.52) | NPC1RAB9ACA2ACHEALDH1A1 | |
| SCHEMBL8600780 | 1.00 | NPC1 (0.52) | NPC1RAB9ACA2ACHEALDH1A1 | |
| SCHEMBL8599883 | 1.00 | NPC1 (0.52) | NPC1RAB9ACA2ACHEALDH1A1 | |
| SCHEMBL8601702 | 1.00 | NPC1 (0.52) | NPC1RAB9ACA2ACHEALDH1A1 | |
| SCHEMBL6836981 | 0.99 | NPC1 (0.53) | NPC1RAB9ACA2ACHEALDH1A1 | |
| SCHEMBL8599586 | 0.94 | NPC1 (0.48) | NPC1RAB9ACA2ACHEALDH1A1 | |
| SCHEMBL6312469 | 0.77 | HTR6 (0.49) | CA2ALDH1A1MAPTCYP1A2CYP3A4 | |
| SCHEMBL8596151 | 0.77 | CA2 (0.44) | NPC1RAB9ACA2ACHEALDH1A1 | |
| SCHEMBL8598221 | 0.76 | CA2 (0.40) | NPC1RAB9ACA2MAPTCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0641791-B1 | NOVEL BENZOTHIOPHENE DERIVATIVE | TEIKOKU HORMONE MFG CO LTD (JP) | 1998-01-28 | — | — | EP | disclosed |
| US-5472962-A | Antiestrogenic agents | TEIKOKU HORMONE MFG. CO., LTD. (JP) | 1995-12-05 | — | — | US | disclosed |
| EP-0641791-A1 | NOVEL BENZOTHIOPHENE DERIVATIVE | TEIKOKU HORMONE MFG. CO., LTD. (JP) | 1995-03-08 | — | — | EP | disclosed |