Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 3/20 | 0.38 |
| ▸ | BACE2 | Q9Y5Z0 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.36 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 3/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29270587 | 0.92 | HPGD (0.40) | NPC1RAB9ATP53SMN1; SMN2TSHR | |
| SCHEMBL29270473 | 0.91 | KMT2A (0.42) | NPC1RAB9ASMN1; SMN2TSHRHSD17B10 | |
| SCHEMBL29270427 | 0.90 | NPC1 (0.41) | NPC1RAB9ATP53SMN1; SMN2TSHR | |
| SCHEMBL29270682 | 0.89 | KDM4E (0.39) | NPC1RAB9ATP53SMN1; SMN2TSHR | |
| SCHEMBL29270464 | 0.87 | GRM2 (0.33) | NPC1RAB9ATSHRBACE1BACE2 | |
| SCHEMBL29270680 | 0.86 | BRD4 (0.35) | NPC1RAB9ATSHRHSD17B10BACE1 | |
| SCHEMBL29270433 | 0.85 | HDAC6 (0.33) | BACE1BACE2GRM2MAPT | |
| SCHEMBL29270768 | 0.84 | ADCY8 (0.35) | NPC1RAB9ATP53SMN1; SMN2KDM4E | |
| SCHEMBL29270577 | 0.84 | GRM2 (0.34) | BACE1BACE2GRM2S1PR4S1PR1 | |
| SCHEMBL29270547 | 0.84 | KDM4E (0.51) | NPC1RAB9ATSHRHSD17B10BACE1 |
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 |