Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | EGFR | P00533 | 2/20 | 0.54 |
| ▸ | SYK | P43405 | 1/20 | 0.54 |
| ▸ | GRM5 | P41594 | 3/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.47 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | JAK1 | P23458 | 1/20 | 0.46 |
| ▸ | JAK3 | P52333 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 2/20 | 0.46 |
| ▸ | BCR | P11274 | 1/20 | 0.46 |
| ▸ | PRKCA | P17252 | 1/20 | 0.46 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.46 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL21755169 | 0.80 | HDAC6 (0.49) | HDAC6SYKCDK5CDK5R1JAK2 | |
| SCHEMBL3949289 | 0.79 | HDAC3 (0.64) | HDAC3HDAC1HDAC2HDAC6SYK | |
| SCHEMBL22190976 | 0.79 | HDAC3 (0.60) | HDAC3HDAC1HDAC2HDAC6EGFR | |
| SCHEMBL30091782 | 0.79 | HDAC3 (0.64) | HDAC3HDAC1HDAC2HDAC6SYK | |
| SCHEMBL28542938 | 0.78 | RAPGEF4 (0.56) | EGFRMAPTKDM4EMAPK1MEN1 | |
| SCHEMBL15332714 | 0.78 | HDAC3 (0.59) | HDAC3HDAC1HDAC2HDAC6EGFR | |
| SCHEMBL3951245 | 0.78 | HDAC6 (0.58) | HDAC3HDAC1HDAC2HDAC6SYK | |
| SCHEMBL22404962 | 0.75 | HDAC3 (0.59) | HDAC3HDAC1HDAC2HDAC6EGFR | |
| SCHEMBL30091769 | 0.75 | HDAC3 (0.59) | HDAC3HDAC1HDAC2HDAC6EGFR | |
| SCHEMBL18434186 | 0.75 | SYK (0.57) | HDAC3HDAC1HDAC2HDAC6EGFR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009029617-A1 | DIARYLAMINE-SUBSTITUTED QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |