Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 3/20 | 0.35 |
| ▸ | NOS2 | P35228 | 3/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | CREBBP | Q92793 | 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 | |
|---|---|---|---|---|
| SCHEMBL20404734 | 1.00 | TRPA1 (0.38) | TRPA1CYP2D6MEN1RECQLKMT2A | |
| SCHEMBL30358244 | 1.00 | TRPA1 (0.38) | TRPA1CYP2D6MEN1RECQLKMT2A | |
| SCHEMBL22515223 | 0.75 | CYP2D6 (0.43) | TRPA1CYP2D6MEN1RECQLKMT2A | |
| SCHEMBL12719260 | 0.75 | TRPA1 (0.38) | TRPA1CYP2D6MEN1RECQLKMT2A | |
| SCHEMBL20863344 | 0.75 | ALDH1A1 (0.33) | CYP2D6MEN1KMT2ARAB9ANPC1 | |
| SCHEMBL22238836 | 0.75 | PDE3B (0.41) | NOS3NOS2NOS1ACHE | |
| SCHEMBL23396540 | 0.75 | MEN1 (0.39) | CYP2D6MEN1KMT2ARAB9ANPC1 | |
| SCHEMBL21065477 | 0.72 | TRPA1 (0.36) | TRPA1CYP2D6MEN1RECQLKMT2A | |
| SCHEMBL840754 | 0.71 | NOS3 (0.47) | TRPA1CYP2D6MEN1RECQLKMT2A | |
| SCHEMBL25028835 | 0.71 | NPC1 (0.33) | TRPA1CYP2D6MEN1RECQLKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009133052-A1 | BENZOCYCLOHEPTANE AND BENZOXEPINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2009-11-05 | — | — | WO | disclosed |