Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | PYGL | P06737 | 1/20 | 0.36 |
| ▸ | PYGM | P11217 | 1/20 | 0.36 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL26962726 | 0.88 | HDAC1 (0.39) | HDAC1HDAC8HDAC6RAB9AKDM4E | |
| SCHEMBL29796820 | 0.88 | HDAC1 (0.39) | HDAC1HDAC8HDAC6RAB9AKDM4E | |
| SCHEMBL31375556 | 0.86 | NAAA (0.40) | HDAC1HDAC8HDAC6RAB9AHPGD | |
| SCHEMBL31628244 | 0.86 | NAAA (0.40) | HDAC1HDAC8HDAC6RAB9AHPGD | |
| SCHEMBL27125391 | 0.83 | KDM4E (0.33) | HDAC1HDAC8HDAC6RAB9AKDM4E | |
| SCHEMBL26962775 | 0.83 | KDM4E (0.33) | HDAC1HDAC8HDAC6RAB9AKDM4E | |
| SCHEMBL26962754 | 0.83 | HDAC1 (0.44) | HDAC1HDAC8HDAC6RAB9AKDM4E | |
| SCHEMBL29270794 | 0.82 | HDAC1 (0.39) | HDAC1HDAC8HDAC6RAB9AHPGD | |
| SCHEMBL31628254 | 0.80 | HDAC1 (0.40) | HDAC1HDAC8HDAC6RAB9AHPGD | |
| SCHEMBL30830316 | 0.79 | KMT2A (0.36) | HDAC1HDAC8HDAC6RAB9AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-4291558-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2023-12-20 | — | — | EP | disclosed |