Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL29270794 | 0.89 | HDAC1 (0.39) | HDAC1HDAC8HDAC6POLBHPGD | |
| SCHEMBL29270724 | 0.83 | SSTR4 (0.36) | HDAC1HDAC8HDAC6POLBSMN1; SMN2 | |
| SCHEMBL29270801 | 0.81 | LMNA (0.35) | HDAC1HDAC8HDAC6POLBSMN1; SMN2 | |
| SCHEMBL26962754 | 0.78 | HDAC1 (0.44) | HDAC1HDAC8HDAC6POLBHPGD | |
| SCHEMBL29270708 | 0.78 | TP53 (0.34) | HDAC1HDAC8HDAC6POLBSMN1; SMN2 | |
| SCHEMBL29270757 | 0.76 | CYP2C9 (0.33) | — | |
| SCHEMBL29270754 | 0.75 | AKR1B1 (0.32) | LMNA | |
| SCHEMBL26962078 | 0.74 | HPGD (0.41) | HDAC1HDAC8HDAC6POLBHPGD | |
| SCHEMBL29796987 | 0.74 | HPGD (0.41) | HDAC1HDAC8HDAC6POLBHPGD | |
| SCHEMBL29270847 | 0.74 | TP53 (0.47) | SMN1; SMN2NPC1LMNAMAPT |
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 | disclosed |