Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | LPL | P06858 | 1/20 | 0.34 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 2/20 | 0.34 |
| ▸ | PLK1 | P53350 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5482816 | 0.86 | IDO1 (0.41) | TAAR1IDO1ALDH1A1CA2TP53 | |
| SCHEMBL27579738 | 0.86 | LOXL2 (0.43) | ALDH1A1TDP1LMNAMAPT | |
| SCHEMBL5002488 | 0.84 | CYP3A4 (0.36) | IDO1 | |
| SCHEMBL28012127 | 0.84 | IDO1 (0.40) | TAAR1IDO1ALDH1A1CYP2C19TDP1 | |
| SCHEMBL8814962 | 0.84 | ESR1 (0.40) | TAAR1IDO1ALDH1A1CA2TP53 | |
| SCHEMBL27557933 | 0.84 | TAAR1 (0.38) | TAAR1IDO1SMN1; SMN2LMNAMAPT | |
| SCHEMBL563886 | 0.83 | TP53 (0.41) | TAAR1IDO1ALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL11609893 | 0.82 | IDO1 (0.48) | TAAR1IDO1ALDH1A1CA2TP53 | |
| SCHEMBL11657265 | 0.81 | LMNA (0.57) | ALDH1A1CA2SMN1; SMN2TDP1LMNA | |
| SCHEMBL12095490 | 0.79 | TAAR1 (0.40) | TAAR1IDO1ALDH1A1CA2TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1620108-B1 | PYRAZOLE-AMINE COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-06-06 | — | — | EP | disclosed |