Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | MIF | P14174 | 1/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.30 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.30 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.30 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.30 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.30 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.30 |
| ▸ | PIK3R5 | Q8WYR1 | 1/20 | 0.30 |
| ▸ | PIK3R3 | Q92569 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7922036 | 0.84 | MEN1 (0.37) | NOTUMPLCG1TSHRMIF | |
| Hydrochloric Acid SCHEMBL7922067 | 0.81 | MAPK1 (0.34) | NOTUMMAOAMAOB | |
| SCHEMBL11781813 | 0.81 | SMN1; SMN2 (0.43) | MAOAMAOBTSHRALDH1A1HPGD | |
| SCHEMBL7922009 | 0.71 | MEN1 (0.38) | TSHR | |
| Hydrochloric Acid SCHEMBL7931055 | 0.70 | MEN1 (0.37) | — | |
| SCHEMBL16577250 | 0.68 | PLCG1 (0.36) | PLCG1 | |
| SCHEMBL29906826 | 0.66 | MAOA (0.59) | MAOAMAOBDAOTSHRNAPRT | |
| SCHEMBL7190117 | 0.64 | CA12 (0.43) | ALDH1A1 | |
| SCHEMBL29427899 | 0.64 | MAOA (0.49) | NOTUMMAOAMAOBDAOTSHR | |
| SCHEMBL11883919 | 0.63 | NOTUM (0.54) | NOTUMMIFCHEK1HPGD |
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 2 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 |
| 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 |