Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12728404 | 0.83 | TDP1 (0.38) | HDAC1HDAC6MAPK1TDP1ALDH1A1 | |
| SCHEMBL21236159 | 0.71 | HDAC1 (0.40) | HDAC1HDAC6MAPK1TDP1ALDH1A1 | |
| SCHEMBL4035862 | 0.69 | NPC1 (0.50) | HDAC1HDAC6TDP1ALDH1A1GAA | |
| SCHEMBL13066991 | 0.69 | TDP1 (0.41) | HDAC1HDAC6MAPK1TDP1ALDH1A1 | |
| SCHEMBL4710827 | 0.67 | HDAC1 (0.70) | HDAC1HDAC6GAACA12CA1 | |
| SCHEMBL9558937 | 0.67 | F2 (0.42) | HDAC1HDAC6MAPK1TDP1ALDH1A1 | |
| SCHEMBL22952586 | 0.66 | KDM1A (0.45) | MAPK1TDP1ALDH1A1TSHRCA12 | |
| SCHEMBL1848482 | 0.65 | TSHR (0.42) | MAPK1TDP1ALDH1A1TSHRGAA | |
| Hydrochloric Acid SCHEMBL11553880 | 0.65 | BLM (0.44) | HDAC1HDAC6MAPK1TDP1ALDH1A1 | |
| SCHEMBL12337184 | 0.65 | TDP1 (0.38) | MAPK1TDP1ALDH1A1TSHRGAA |
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-2298770-A1 | Heterocyclic compounds as TrkA modulators | ChemBridge Corporation (US) | 2011-03-23 | — | — | EP | disclosed |