Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 2/20 | 0.47 |
| ▸ | CTSB | P07858 | 2/20 | 0.47 |
| ▸ | CTSK | P43235 | 2/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3678018 | 0.79 | TAAR1 (0.48) | TRPA1TAAR1SIGMAR1SLC6A2MAOA | |
| SCHEMBL3685154 | 0.78 | TRPA1 (0.48) | CTSLCTSBCTSKTRPA1TAAR1 | |
| SCHEMBL8441498 | 0.76 | TRPA1 (0.47) | CTSLCTSBCTSKTRPA1TAAR1 | |
| SCHEMBL1356667 | 0.76 | CTSL (0.48) | CTSLCTSBCTSKTRPA1TAAR1 | |
| SCHEMBL3482284 | 0.75 | TRPA1 (0.46) | CTSLCTSBCTSKTRPA1TAAR1 | |
| SCHEMBL18658510 | 0.75 | TRPA1 (0.46) | CTSLCTSBCTSKTRPA1TAAR1 | |
| SCHEMBL11692839 | 0.75 | SRR (0.48) | CTSLCTSBCTSKTRPA1TAAR1 | |
| SCHEMBL1837096 | 0.74 | CTSK (0.57) | CTSLCTSBCTSKTRPA1TAAR1 | |
| SCHEMBL109171 | 0.73 | TAAR1 (0.47) | CTSLCTSBCTSKTRPA1TAAR1 | |
| SCHEMBL28328694 | 0.73 | TRPA1 (0.44) | CTSLCTSBCTSKTRPA1TAAR1 |
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-1999018082-A1 | NOVEL SUBSTITUTED PYRIDAZINONES | BASF AKTIENGESELLSCHAFT (DE) | 1999-04-15 | — | — | WO | disclosed |