Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | AGER | Q15109 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4442877 | 0.81 | TAAR1 (0.49) | TAAR1CYP2D6TSHR | |
| SCHEMBL6582380 | 0.77 | CA1 (0.51) | CA1CA2CA7CA9CYP3A4 | |
| SCHEMBL27574291 | 0.77 | CA1 (0.51) | CA1CA2CA7CA9CYP3A4 | |
| SCHEMBL6579732 | 0.77 | CA1 (0.51) | CA1CA2CA7CA9CYP3A4 | |
| SCHEMBL27302186 | 0.77 | TAAR1 (0.45) | TAAR1CYP2D6CYP2C19TSHR | |
| SCHEMBL27507351 | 0.75 | FAAH (0.45) | TAAR1 | |
| SCHEMBL7873998 | 0.73 | MAPT (0.55) | CYP1A2CYP2C19 | |
| SCHEMBL27984245 | 0.73 | TAAR1 (0.44) | TAAR1CYP2D6TSHRMAPK1 | |
| SCHEMBL1520889 | 0.72 | CA1 (0.59) | CA1CA2CA7CA9CYP3A4 | |
| SCHEMBL6697299 | 0.72 | F2RL1 (0.34) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 |
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-1993002057-A1 | RETROVIRAL PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1993-02-04 | — | — | WO | disclosed |