Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14910878 | 0.88 | TAAR1 (0.50) | TAAR1AOC3TRPA1RIPK1 | |
| SCHEMBL8353106 | 0.85 | CYP2A6 (0.41) | TAAR1SMN1; SMN2CYP2A6ACHELMNA | |
| SCHEMBL8325622 | 0.84 | NFE2L2 (0.44) | TAAR1SMN1; SMN2AOC3TRPA1RIPK1 | |
| SCHEMBL8325507 | 0.81 | TRPA1 (0.50) | TAAR1TRPA1CYP2A6 | |
| SCHEMBL8324571 | 0.81 | TP53 (0.43) | TAAR1SMN1; SMN2AOC3TRPA1RIPK1 | |
| SCHEMBL8322049 | 0.80 | TACR1 (0.41) | CYP2A6 | |
| SCHEMBL8329048 | 0.80 | NPC1 (0.46) | TAAR1SMN1; SMN2RIPK1ACHELMNA | |
| SCHEMBL8326387 | 0.75 | TAAR1 (0.41) | TAAR1SMN1; SMN2AOC3TRPA1RIPK1 | |
| SCHEMBL11669325 | 0.74 | LMNA (0.36) | SMN1; SMN2CYP2A6ACHELMNATSHR | |
| SCHEMBL6546413 | 0.74 | TRPA1 (0.55) | TAAR1SMN1; SMN2AOC3TRPA1RIPK1 |
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 |