Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.43 |
| ▸ | NAMPT | P43490 | 2/20 | 0.43 |
| ▸ | KDM1A | O60341 | 2/20 | 0.42 |
| ▸ | CDC25B | P30305 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3313453 | 0.81 | ALDH1A1 (0.53) | ALDH1A1SRD5A2KDM4EMAPTPOLB | |
| SCHEMBL1075113 | 0.81 | ALDH1A1 (0.53) | ALDH1A1SRD5A2KDM4EMAPTPOLB | |
| SCHEMBL7277193 | 0.78 | NOTUM (0.58) | ALDH1A1SRD5A2KDM4EMAPTPOLB | |
| SCHEMBL13236584 | 0.78 | ALDH1A1 (0.50) | ALDH1A1SRD5A2KDM4EMAPTPOLB | |
| SCHEMBL20178702 | 0.77 | NAMPT (0.52) | ALDH1A1SRD5A2POLBTDP1KMT2A | |
| SCHEMBL15142217 | 0.77 | ALDH1A1 (0.49) | ALDH1A1SRD5A2KDM4EMAPTPOLB | |
| SCHEMBL25734241 | 0.75 | HDAC1 (0.51) | ALDH1A1AKR1C3AKR1C1 | |
| SCHEMBL1413449 | 0.73 | ALDH1A1 (0.58) | ALDH1A1AKR1C3 | |
| SCHEMBL8122252 | 0.73 | HDAC1 (0.55) | SRD5A2KDM4EMEN1MAPK1CYP2C19 | |
| SCHEMBL6901141 | 0.73 | SRD5A2 (0.66) | ALDH1A1SRD5A2KDM4EMAPTPOLB |
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-2073804-B1 | HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THE TREATMENT OF PAIN | ASTEX THERAPEUTICS LTD (GB) | 2017-09-13 | — | — | EP | disclosed |