Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL3149589 | 0.84 | ALDH1A1 (0.38) | CYP1A2CYP1A1CYP1B1CYP3A4 | |
| SCHEMBL79020 | 0.84 | ALDH1A1 (0.35) | CYP2A6RAB9AMEN1KMT2A | |
| SCHEMBL28957329 | 0.81 | CYP1A2 (0.41) | CYP1A2CYP2A6CYP1A1CYP1B1NPC1 | |
| SCHEMBL8359885 | 0.81 | MEN1 (0.42) | CYP1A2NPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL321122 | 0.81 | TDP1 (0.39) | CYP1A2CYP2A6NPC1RAB9AKDM4E | |
| SCHEMBL7139286 | 0.81 | ALDH1A1 (0.41) | CYP1A2CYP2A6MAPK14CYP1A1CYP1B1 | |
| SCHEMBL9418157 | 0.81 | ESR1 (0.47) | CYP1A2NPC1RAB9AHPGDMEN1 | |
| SCHEMBL5785358 | 0.80 | KIF11 (0.47) | MAPK14 | |
| SCHEMBL239122 | 0.79 | CYP2A6 (0.37) | CYP1A2CYP2A6CYP1A1CYP1B1CYP3A4 | |
| SCHEMBL1719526 | 0.78 | GSTP1 (0.44) | CYP1A2CYP1A1CYP1B1NPC1RAB9A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0948496-A2 | SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE | Amgen inc. (US) | 1999-10-13 | — | — | EP | disclosed |
| WO-1998024780-A2 | SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE | AMGEN INC. (US) | 1998-06-11 | — | — | WO | disclosed |
| US-4455421-A | ANTIFERTILITY, ANTIULCER AGENTS; TETRAZOLE DERIVATIVES | PFIZER INC. (US) | 1984-06-19 | — | — | US | disclosed |
| US-4365077-A | ANTIFERTILITY, ANTIULCER | PFIZER INC. (US) | 1982-12-21 | — | — | US | disclosed |
| US-4157341-A | 11-Desoxy-16-aryloxy-ω-tetranorprostaglandins | PFIZER INC. (US) | 1979-06-05 | — | — | US | disclosed |