Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 2/20 | 0.48 |
| ▸ | HTR2C | P28335 | 2/20 | 0.48 |
| ▸ | HTR2B | P41595 | 2/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | HMGCR | P04035 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27685436 | 0.82 | PTGS2 (0.64) | ALDH1A1HTR2AHTR2CHTR2BCYP19A1 | |
| SCHEMBL2500546 | 0.80 | PTGS2 (0.68) | ALDH1A1CYP3A4HTR2AHTR2CHTR2B | |
| SCHEMBL5982004 | 0.79 | ALDH1A1 (0.59) | ALDH1A1CYP3A4HTR2AHTR2CHTR2B | |
| SCHEMBL2442396 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CYP3A4HTR2AHTR2CHTR2B | |
| SCHEMBL223826 | 0.78 | AKR1B1 (0.59) | ALDH1A1CYP3A4GABRA1GABRB2GABRA5 | |
| SCHEMBL11060703 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CYP3A4HTR2AHTR2CHTR2B | |
| SCHEMBL13181141 | 0.78 | ALDH1A1 (0.69) | ALDH1A1CYP3A4CYP19A1AOC3GABRA1 | |
| SCHEMBL3362269 | 0.76 | ALDH1A1 (0.45) | ALDH1A1HTR2AHTR2CHTR2BCYP19A1 | |
| SCHEMBL3041350 | 0.75 | AKR1B1 (0.61) | ALDH1A1CYP3A4HMGCR | |
| SCHEMBL31157855 | 0.75 | PTGS2 (0.55) | ALDH1A1CYP3A4HTR2AHTR2CHTR2B |
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-2018093579-A1 | TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR | AMGEN INC. (US) | 2018-05-24 | — | — | WO | disclosed |