Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9770679 | 0.85 | LMNA (0.48) | HDAC1HDAC6NPC1RAB9ACXCR4 | |
| SCHEMBL9770502 | 0.82 | KDM2B (0.39) | NPC1RAB9ACASP3SENP8SENP7 | |
| SCHEMBL9770662 | 0.81 | MCL1 (0.49) | HDAC1HDAC6CXCR4HTTMAPT | |
| Hydrochloric Acid SCHEMBL9770620 | 0.81 | KDM2B (0.39) | NPC1RAB9AKDM2BHPGDHTT | |
| SCHEMBL29640806 | 0.78 | HDAC1 (0.45) | HDAC1HDAC6CXCR4MAPK1 | |
| SCHEMBL2688968 | 0.78 | HDAC1 (0.45) | HDAC1HDAC6CXCR4MAPK1 | |
| SCHEMBL2597816 | 0.77 | HDAC1 (0.46) | HDAC1HDAC6CXCR4ALDH1A1 | |
| SCHEMBL27766407 | 0.76 | HDAC1 (0.44) | HDAC1HDAC6CXCR4 | |
| SCHEMBL2305432 | 0.76 | HDAC1 (0.45) | HDAC1HDAC6CXCR4 | |
| SCHEMBL30558705 | 0.75 | HDAC1 (0.46) | HDAC1HDAC6CXCR4ALDH1A1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5001131-A | Pyridine derivatives | JOHN WYETH & BROTHER LIMITED (GB) | 1991-03-19 | — | — | US | disclosed |