Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | GPR52 | Q9Y2T5 | 2/20 | 0.38 |
| ▸ | G6PC1 | P35575 | 2/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 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 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3566359 | 0.84 | G6PC1 (0.51) | G6PC1SMN1; SMN2NPC1RAB9ANFKB1 | |
| SCHEMBL8324164 | 0.77 | ALDH1A1 (0.51) | SMN1; SMN2NPC1RAB9AMAPTTAAR1 | |
| SCHEMBL7814468 | 0.77 | NFE2L2 (0.48) | GPR52SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL28117454 | 0.74 | TRPA1 (0.51) | TRPA1PLA2G1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8325508 | 0.74 | NFE2L2 (0.55) | GPR52CYP1A2CYP3A4CYP2D6NPC1 | |
| SCHEMBL1115608 | 0.73 | MAOB (0.46) | GPR52SMN1; SMN2CYP2A6HTR2ATAAR1 | |
| SCHEMBL27692484 | 0.73 | TRPA1 (0.46) | TRPA1PLA2G1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27605856 | 0.73 | TRPA1 (0.46) | TRPA1PLA2G1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8326407 | 0.72 | CYP3A4 (0.39) | TRPA1PLA2G1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8327003 | 0.72 | TRPA1 (0.38) | TRPA1G6PC1CYP3A4CYP2D6NPC1 |
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-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 |