Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 3/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 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 | |
|---|---|---|---|---|
| SCHEMBL283346 | 0.82 | TRPA1 (0.50) | PARP1CA1CA2TRPA1CYP11B2 | |
| SCHEMBL31586332 | 0.82 | TRPA1 (0.50) | PARP1CA1CA2TRPA1CYP11B2 | |
| SCHEMBL27986120 | 0.75 | PARP1 (0.41) | PARP1CA1CA2TRPA1CYP11B2 | |
| SCHEMBL563921 | 0.74 | TRPA1 (0.57) | PARP1CA1CA2TRPA1BCHE | |
| SCHEMBL11165595 | 0.73 | CYP11B1 (0.37) | PARP1CA1CA2TRPA1CYP11B2 | |
| SCHEMBL23581856 | 0.71 | PARP1 (0.39) | PARP1CA1CA2TRPA1CYP11B2 | |
| SCHEMBL10546236 | 0.71 | PARP1 (0.39) | PARP1CA1CA2TRPA1CYP11B2 | |
| SCHEMBL3900328 | 0.71 | PARP1 (0.39) | PARP1CA1CA2TRPA1CYP11B2 | |
| SCHEMBL23581853 | 0.71 | PARP1 (0.39) | PARP1CA1CA2TRPA1CYP11B2 | |
| SCHEMBL10546234 | 0.71 | CA1 (0.42) | PARP1CA1CA2TRPA1CYP11B2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5843983-A | Diphenylethane compounds containing a saturated heterocyclic group, their preparation, and their therapeutic use | SANKYO COMPANY, LIMITED (JP) | 1998-12-01 | — | — | US | disclosed |
| CN-1174190-A | Diaryl alkane derivatives containing alicyclic group, their preparation and their therapeutic and prophylactic uses | SANKYO CO (JP) | 1998-02-25 | — | — | CN | disclosed |
| EP-0790235-A1 | Diaryl alkane derivatives containing an alicyclic group, their preparation and their therapeutic and prophylactic uses | SANKYO COMPANY LIMITED (JP) | 1997-08-20 | — | — | EP | disclosed |