Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | HBB | P68871 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12853724 | 0.84 | POLB (0.50) | SMN1; SMN2HRH3POLBKMT2AMEN1 | |
| SCHEMBL329891 | 0.79 | HRH3 (0.63) | HRH3KMT2AMEN1TSHRALDH1A1 | |
| SCHEMBL29640958 | 0.79 | HRH3 (0.63) | HRH3KMT2AMEN1TSHRALDH1A1 | |
| SCHEMBL329515 | 0.78 | HRH3 (0.73) | HRH3ALDH1A1MAPK1USP2KDM4E | |
| Hydrochloric Acid SCHEMBL31014160 | 0.78 | HRH3 (0.62) | HRH3KMT2AMEN1ALDH1A1MAPK1 | |
| SCHEMBL329593 | 0.75 | SMN1; SMN2 (0.48) | SMN1; SMN2HRH3POLBKMT2AMEN1 | |
| SCHEMBL10214800 | 0.73 | HSP90AA1 (0.51) | ABHD6 | |
| SCHEMBL4067628 | 0.71 | HSP90AA1 (0.41) | HRH3ALDH1A1HPGDALOX15MTNR1A | |
| SCHEMBL17937106 | 0.69 | SMN1; SMN2 (0.72) | SMN1; SMN2POLBKMT2AMEN1CYP3A4 | |
| SCHEMBL19249460 | 0.68 | CA1 (0.59) | POLBCYP2C19KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9914719-B2 | Hydroxybenzamide derivatives and their use as inhibitors of HSP90 | ASTEX THERAPEUTICS LTD. (GB) | 2018-03-13 | — | — | US | disclosed |
| US-9730912-B2 | Pharmaceutical compounds | ASTEX THERAPEUTICS LIMITED (GB) | 2017-08-15 | — | — | US | disclosed |
| WO-2008044029-A1 | PHARMACEUTICAL COMBINATIONS | ASTEX THERAPEUTICS LIMITED (GB) | 2008-04-17 | — | — | WO | disclosed |