Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 3/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.35 |
| ▸ | BRD2 | P25440 | 1/20 | 0.33 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 2/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29270473 | 0.90 | KMT2A (0.42) | GRM2BACE1BACE2S1PR4S1PR1 | |
| SCHEMBL29270594 | 0.89 | GRM2 (0.34) | BRD4GRM2BRD2BRD3BACE1 | |
| SCHEMBL29270587 | 0.87 | HPGD (0.40) | GRM2BACE1BACE2S1PR4S1PR1 | |
| SCHEMBL29270632 | 0.86 | NPC1 (0.44) | GRM2BACE1BACE2S1PR4S1PR1 | |
| SCHEMBL29796616 | 0.84 | RAB9A (0.35) | BRD4GRM2BRD2BRD3BACE1 | |
| SCHEMBL26961203 | 0.84 | RAB9A (0.35) | BRD4GRM2BRD2BRD3BACE1 | |
| SCHEMBL29270768 | 0.83 | ADCY8 (0.35) | GRM2KDM4EKMT2ANPC1RAB9A | |
| SCHEMBL29270577 | 0.82 | GRM2 (0.34) | GRM2BACE1BACE2S1PR4S1PR1 | |
| SCHEMBL29270682 | 0.82 | KDM4E (0.39) | GRM2BACE1BACE2HPGDKDM4E | |
| SCHEMBL29270545 | 0.82 | CA1 (0.38) | GRM2S1PR4S1PR1S1PR5HPGD |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-116964048-A | Bicyclic tetrahydroazepine derivatives for the treatment of cancer | 豪夫迈·罗氏有限公司 | 2023-10-27 | — | — | CN | disclosed |