Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 3/20 | 0.35 |
| ▸ | RXRB | P28702 | 3/20 | 0.35 |
| ▸ | RXRG | P48443 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TYMP | P19971 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6972819 | 1.00 | ALDH1A1 (0.36) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL211460 | 0.83 | TSHR (0.44) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6970352 | 0.79 | L3MBTL1 (0.39) | SMN1; SMN2MAPK1MAPTLMNAHTT | |
| SCHEMBL696077 | 0.79 | L3MBTL1 (0.39) | SMN1; SMN2MAPK1MAPTLMNAHTT | |
| SCHEMBL696078 | 0.79 | L3MBTL1 (0.39) | SMN1; SMN2MAPK1MAPTLMNAHTT | |
| SCHEMBL6972037 | 0.77 | NPC1 (0.36) | ALDH1A1HPGDSMN1; SMN2MAPTPOLB | |
| SCHEMBL6972040 | 0.77 | NPC1 (0.36) | ALDH1A1HPGDSMN1; SMN2MAPTPOLB | |
| SCHEMBL6351747 | 0.75 | — | — | |
| SCHEMBL6351748 | 0.75 | — | — | |
| SCHEMBL5785941 | 0.73 | GSK3B (0.53) | ALDH1A1HPGDCYP1A2CYP3A4CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |