Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.30 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.30 |
| ▸ | PTPN11 | Q06124 | 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 | |
|---|---|---|---|---|
| SCHEMBL9478151 | 0.80 | CYP2A6 (0.36) | CYP2A6PLCG1GSK3B | |
| SCHEMBL11186492 | 0.78 | MEN1 (0.35) | ALOX15TSHR | |
| SCHEMBL17195666 | 0.78 | CYP1A2 (0.35) | CYP2A6PLCG1CYP2D6CYP2C19 | |
| SCHEMBL3151329 | 0.77 | TDP1 (0.37) | TSHRCES2CES1 | |
| SCHEMBL4687288 | 0.74 | LMNA (0.31) | — | |
| SCHEMBL19297529 | 0.74 | ALDH1A1 (0.38) | CYP2A6GSK3B | |
| SCHEMBL17548365 | 0.73 | CYP2A6 (0.38) | CYP2A6ALOX15CA1CA2PLCG1 | |
| SCHEMBL20590378 | 0.73 | CYP2A6 (0.38) | CYP2A6ALOX15CA1CA2PLCG1 | |
| SCHEMBL3581283 | 0.72 | TSHR (0.52) | CA1CA2GSK3BTSHRCES1 | |
| SCHEMBL28615596 | 0.71 | HPGD (0.50) | TSHR |
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-2017123588-A1 | INHIBITING ATAXIA TELANGIECTASIA AND RAD3-RELATED PROTEIN (ATR) | MERRIMACK PHARMACEUTICALS, INC. (US) | 2017-07-20 | — | — | WO | disclosed |
| WO-2016054807-A1 | TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF | MERCK SHARP & DOHME CORP. (US) | 2016-04-14 | — | — | WO | disclosed |