Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | AGXT | P21549 | 2/20 | 0.31 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.31 |
| ▸ | ALPL | P05186 | 1/20 | 0.31 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.31 |
| ▸ | XIAP | P98170 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13627009 | 0.80 | CYP1A2 (0.38) | CYP1A2CYP2A6ALOX5NPC1KDM4E | |
| SCHEMBL7212870 | 0.79 | ALDH1A1 (0.36) | KDM4EGAAHPGDALDH1A1MAPK1 | |
| SCHEMBL7207043 | 0.78 | CYP2A6 (0.37) | CYP1A2CYP2A6ALOX5KDM4EAGXT | |
| SCHEMBL17807568 | 0.78 | CYP3A4 (0.37) | CYP1A2ALOX5NPC1RAB9AMAPT | |
| SCHEMBL6162752 | 0.78 | CYP1A2 (0.34) | CYP1A2CYP2A6GAA | |
| SCHEMBL9179446 | 0.78 | CYP1A2 (0.34) | CYP1A2CYP2A6GAA | |
| SCHEMBL10020870 | 0.77 | HSP90AA1 (0.31) | CYP1A2NPC1RAB9AALDH1A1CYP2C9 | |
| SCHEMBL1160685 | 0.76 | CYP3A4 (0.41) | CYP1A2LMNACYP2C9CYP2C19 | |
| SCHEMBL9176033 | 0.75 | KDM4E (0.33) | CYP1A2CYP2A6NPC1KDM4EGAA | |
| SCHEMBL9176597 | 0.75 | CYP1A2 (0.32) | CYP1A2CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6610891-B1 | Reduces degradation or decomposition of catalyst | MITSUBISHI CHEMICAL CORPORATION (JP) | 2003-08-26 | — | — | US | claimed |