Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | DDX3X | O00571 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL2927023 | 0.79 | KMT2A (0.46) | ALDH1A1NLRP3KMT2AHPGDMEN1 | |
| SCHEMBL13754339 | 0.79 | TRPA1 (0.40) | CYP3A4TSHRRECQLALDH1A1GAA | |
| SCHEMBL8750664 | 0.79 | NPC1 (0.36) | CYP3A4ALDH1A1KAT6AHPGDESR1 | |
| SCHEMBL17965603 | 0.78 | ALDH1A1 (0.42) | ALDH1A1NLRP3GAAMAPT | |
| SCHEMBL24083642 | 0.76 | NLRP3 (0.41) | CYP3A4TSHRRECQLALDH1A1NLRP3 | |
| SCHEMBL13696429 | 0.74 | ALDH1A1 (0.46) | CYP3A4TSHRALDH1A1HPGDGAA | |
| SCHEMBL14661925 | 0.74 | ALDH1A1 (0.43) | CYP3A4TSHRALDH1A1KMT2AHPGD | |
| SCHEMBL8251529 | 0.74 | DAO (0.43) | KAT6ASMN1; SMN2 | |
| SCHEMBL24083657 | 0.74 | NLRP3 (0.36) | CYP3A4TSHRRECQLALDH1A1NLRP3 | |
| SCHEMBL8258347 | 0.73 | AOC1 (0.36) | CYP3A4TSHRRECQLESR1 |
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-2016124747-A1 | COMPOUNDS WITH ANTI-TUMORAL ACTIVITY | AB SCIENCE (FR) | 2016-08-11 | — | — | WO | disclosed |