Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9565765 | 0.78 | MEN1 (0.44) | SIGMAR1MEN1CYP3A4KMT2A | |
| SCHEMBL12463825 | 0.70 | SLC6A2 (0.38) | MEN1KMT2A | |
| SCHEMBL29100535 | 0.68 | USP2 (0.46) | MEN1KMT2A | |
| SCHEMBL6221558 | 0.68 | SLC10A2 (0.40) | SIGMAR1HTR2AHTR2CHTR2BHRH3 | |
| SCHEMBL6221549 | 0.68 | SLC10A2 (0.40) | SIGMAR1HTR2AHTR2CHTR2BHRH3 | |
| SCHEMBL7419856 | 0.66 | KMT2A (0.40) | SIGMAR1MEN1KMT2A | |
| SCHEMBL13843475 | 0.66 | ALDH1A1 (0.42) | HTR2BMEN1CYP1A2CYP3A4ALOX15 | |
| SCHEMBL1388099 | 0.66 | SIGMAR1 (0.55) | SIGMAR1HTR2AHTR2CHTR2BHRH3 | |
| SCHEMBL11548867 | 0.65 | SIGMAR1 (0.44) | SIGMAR1HTR2AHTR2CHTR2BHRH3 | |
| SCHEMBL27173470 | 0.64 | LMNA (0.41) | SIGMAR1MEN1TSHRKMT2A |
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-1997033882-A9 | NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE | — | 1998-02-26 | — | — | WO | disclosed |