Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9824912 | 0.79 | ESR1 (0.48) | ESR1CES2CES1TSHRPTGS2 | |
| SCHEMBL3684167 | 0.79 | ESR1 (0.48) | ESR1CES2CES1TSHRPOLB | |
| SCHEMBL3684165 | 0.79 | ESR1 (0.48) | ESR1CES2CES1TSHRPOLB | |
| SCHEMBL1035354 | 0.78 | ESR1 (0.56) | ESR1CES2CES1TSHRPOLB | |
| SCHEMBL3902058 | 0.78 | ESR1 (0.56) | ESR1CES2CES1TSHRPOLB | |
| SCHEMBL11844374 | 0.78 | ESR1 (0.56) | ESR1CES2CES1TSHRPOLB | |
| SCHEMBL27360289 | 0.77 | ALDH1A1 (0.48) | ESR1CES2CES1TSHRPTGS2 | |
| SCHEMBL10860577 | 0.77 | ESR1 (0.46) | ESR1CES2CES1TSHRPOLB | |
| SCHEMBL3797762 | 0.76 | ESR1 (0.50) | ESR1CES2CES1TSHRPOLB | |
| SCHEMBL3797764 | 0.76 | ESR1 (0.50) | ESR1CES2CES1TSHRPOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0980867-B1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES (JP) | 2007-08-08 | — | — | EP | disclosed |
| US-6100292-A | Ketone derivatives and their medical applications | TORAY INDUSTRIES, INC. (JP) | 2000-08-08 | — | — | US | disclosed |
| EP-0980867-A1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 2000-02-23 | — | — | EP | disclosed |