Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 5/20 | 0.37 |
| ▸ | CA2 | P00918 | 5/20 | 0.37 |
| ▸ | CA9 | Q16790 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.35 |
| ▸ | LPAR3 | Q9UBY5 | 2/20 | 0.35 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.35 |
| ▸ | NAAA | Q02083 | 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 | |
|---|---|---|---|---|
| SCHEMBL7282022 | 0.98 | CES1 (0.52) | CES1CES2MEN1THRBHTT | |
| SCHEMBL5434808 | 0.93 | TSHR (0.42) | CES1CES2MEN1THRBHTT | |
| SCHEMBL9773492 | 0.82 | — | — | |
| SCHEMBL12501670 | 0.82 | CES1 (0.46) | CES1CES2MEN1THRBHTT | |
| SCHEMBL30256962 | 0.80 | CES1 (0.52) | CES1CES2MEN1THRBHTT | |
| SCHEMBL4494245 | 0.80 | CES1 (0.52) | CES1CES2MEN1THRBHTT | |
| SCHEMBL7289789 | 0.79 | CYP4F2 (0.44) | CES1CES2MEN1THRBHTT | |
| SCHEMBL2770729 | 0.78 | CES1 (0.55) | CES1CES2MEN1THRBHTT | |
| SCHEMBL4489271 | 0.78 | CES1 (0.55) | CES1CES2MEN1THRBHTT | |
| SCHEMBL4506308 | 0.78 | CES1 (0.55) | CES1CES2MEN1THRBHTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009145357-A1 | IN 1-POSITION DURCH EINEN RING SUBSTITUIERTE BENZO [1, 4] DIAZEPINE ZUR VERWENDUNGS ALS ANTIDEPRESSIVA | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2009-12-03 | — | — | WO | disclosed |
| EP-0482084-B1 | (1,2N) AND (3,2N)-CARBOCYCLIC-2-AMINO TETRALIN DERIVATIVES | UPJOHN CO (US) | 1997-05-07 | — | — | EP | disclosed |