Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | GBA1 | P04062 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL7054991 | 0.82 | ALDH1A1 (0.53) | ALDH1A1TP53CYP3A4TSHRACHE | |
| SCHEMBL2625460 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TP53CYP3A4TSHRACHE | |
| SCHEMBL7052094 | 0.74 | KMT2A (0.42) | ALDH1A1KMT2AMAPTMEN1CYP1A2 | |
| SCHEMBL10996259 | 0.73 | ALDH1A1 (0.52) | ALDH1A1TP53CYP3A4TSHRACHE | |
| SCHEMBL19317589 | 0.73 | MAPT (0.59) | ALDH1A1TP53CYP3A4TSHRACHE | |
| SCHEMBL11110610 | 0.73 | ALDH1A1 (0.46) | ALDH1A1TP53CYP3A4TSHRACHE | |
| SCHEMBL988426 | 0.73 | ALDH1A1 (0.64) | ALDH1A1TP53CYP3A4TSHRACHE | |
| SCHEMBL3866984 | 0.73 | ALDH1A1 (0.56) | ALDH1A1TP53CYP3A4TSHRACHE | |
| SCHEMBL29776972 | 0.73 | ALDH1A1 (0.64) | ALDH1A1TP53CYP3A4TSHRACHE | |
| SCHEMBL7054068 | 0.72 | ALDH1A1 (0.40) | ALDH1A1TP53CYP3A4TSHRACHE |
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 |
|---|---|---|---|---|---|---|---|
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| EP-1304325-A1 | 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-04-23 | — | — | EP | disclosed |