Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NAMPT | P43490 | 2/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
| ▸ | ABHD6 | Q9BV23 | 4/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.45 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14590634 | 0.83 | HRH3 (0.52) | NPC1TP53TSHRMAPK1RAB9A | |
| SCHEMBL2333879 | 0.80 | ESR1 (0.62) | NAMPTROCK2ABHD6ESR1ESR2 | |
| SCHEMBL30368214 | 0.80 | PIK3CA (0.49) | NPC1TP53TSHRMAPK1RAB9A | |
| SCHEMBL25669120 | 0.80 | PIK3CA (0.49) | NPC1TP53TSHRMAPK1RAB9A | |
| SCHEMBL3060013 | 0.79 | ESR1 (0.61) | ABHD6HRH3ESR1ESR2HPGD | |
| SCHEMBL25200985 | 0.78 | ESR1 (0.51) | ABHD6ESR1ESR2MGLLHSP90AA1 | |
| SCHEMBL13336895 | 0.78 | MAPK1 (0.63) | MAPK1SMN1; SMN2NAMPTABHD6HPGD | |
| Trifluoroacetic Acid SCHEMBL383473 | 0.77 | KCNJ1 (0.56) | KCNJ1NPC1TP53TSHRMAPK1 | |
| SCHEMBL12853700 | 0.76 | SMN1; SMN2 (0.57) | NPC1TP53TSHRMAPK1RAB9A | |
| SCHEMBL4713777 | 0.75 | NAMPT (0.46) | NPC1TP53TSHRMAPK1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9730912-B2 | Pharmaceutical compounds | ASTEX THERAPEUTICS LIMITED (GB) | 2017-08-15 | — | — | US | disclosed |
| US-7700625-B2 | Hydroxybenzamide derivatives and their use as inhibitors of Hsp90 | ASTEX THERAPEUTICS LTD. (GB) | 2010-04-20 | — | — | US | disclosed |