Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NCF1 | P14598 | 4/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 7/20 | 0.36 |
| ▸ | PPARD | Q03181 | 5/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | RARA | P10276 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 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 | |
|---|---|---|---|---|
| SCHEMBL6344981 | 0.88 | L3MBTL1 (0.38) | L3MBTL1CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL7969081 | 0.86 | NCF1 (0.40) | L3MBTL1CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL6349213 | 0.85 | KDM1A (0.46) | L3MBTL1CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL7931735 | 0.83 | L3MBTL1 (0.44) | L3MBTL1CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL7922023 | 0.83 | NCF1 (0.38) | L3MBTL1CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL9340707 | 0.82 | L3MBTL1 (0.46) | L3MBTL1CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL7922096 | 0.82 | L3MBTL1 (0.49) | L3MBTL1CYP2C19TDP1NCF1MEN1 | |
| SCHEMBL7928483 | 0.78 | RARB (0.40) | L3MBTL1CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL6341249 | 0.77 | THRA (0.46) | L3MBTL1CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL7934151 | 0.76 | ALDH1A1 (0.45) | L3MBTL1NCF1KDM1A |
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 |