Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | NQO1 | P15559 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MMP14 | P50281 | 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 | |
|---|---|---|---|---|
| SCHEMBL7929499 | 0.81 | NQO1 (0.36) | NQO1SMN1; SMN2POLBTDP1TSHR | |
| SCHEMBL7931587 | 0.78 | ALDH1A1 (0.46) | ALDH1A1KDM4EMAOBAPPDRD2 | |
| SCHEMBL4493624 | 0.77 | NQO1 (0.50) | ALDH1A1KDM4ENQO1MAOBAPP | |
| SCHEMBL1542949 | 0.77 | ALDH1A1 (0.52) | ALDH1A1KDM4ENQO1MAOBAPP | |
| SCHEMBL3631389 | 0.75 | KDM4E (0.50) | ALDH1A1KDM4ENQO1MAOBDRD2 | |
| SCHEMBL9936234 | 0.74 | SMN1; SMN2 (0.45) | ALDH1A1KDM4EMAOBSMN1; SMN2POLB | |
| SCHEMBL18358 | 0.74 | NQO1 (0.74) | ALDH1A1KDM4ENQO1MAOBAPP | |
| Boric Acid SCHEMBL28271567 | 0.74 | ALDH1A1 (0.42) | ALDH1A1KDM4EMAOBAPPDRD2 | |
| SCHEMBL13535 | 0.73 | NPC1 (0.39) | ALDH1A1KDM4EMAOBMAPK1MAPT | |
| SCHEMBL5685402 | 0.73 | ALDH1A1 (0.49) | ALDH1A1KDM4ENQO1MAOBAPP |
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-1140896-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | Takeda Chemical Industries, Ltd. (JP) | 2001-10-10 | — | — | EP | disclosed |
| US-6235771-B1 | AIDS THERPAY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-22 | — | — | US | disclosed |
| WO-2000037455-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-06-29 | — | — | WO | disclosed |