Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.39 |
| ▸ | HPGD | P15428 | 6/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 7/20 | 0.36 |
| ▸ | NPC1 | O15118 | 6/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29270422 | 0.90 | HPGD (0.35) | KDM4EHPGDCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29270587 | 0.90 | HPGD (0.40) | KDM4EHPGDCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29270632 | 0.89 | NPC1 (0.44) | KDM4EHPGDCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29270465 | 0.86 | HPGD (0.41) | KDM4EHPGDCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29270473 | 0.85 | KMT2A (0.42) | KDM4EHPGDCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL26961161 | 0.84 | KDM4E (0.41) | KDM4EHPGDCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29270427 | 0.84 | NPC1 (0.41) | KDM4EHPGDCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29270588 | 0.83 | HPGD (0.41) | KDM4EHPGDCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29270464 | 0.83 | GRM2 (0.33) | MAPTGRM2ALDH1A1RAB9ANPC1 | |
| SCHEMBL29270671 | 0.83 | HPGD (0.42) | KDM4EHPGDCYP3A4CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116964048-A | Bicyclic tetrahydroazepine derivatives for the treatment of cancer | 豪夫迈·罗氏有限公司 | 2023-10-27 | — | — | CN | claimed |