Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | MLYCD | O95822 | 1/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27774491 | 0.88 | CES1 (0.52) | CES1POLBTSHRCYP2C19TDP1 | |
| Hydrochloric Acid SCHEMBL27397319 | 0.84 | BLM (0.44) | CES1POLBTSHRCYP2C19TDP1 | |
| SCHEMBL28013544 | 0.78 | CES1 (0.39) | CES1POLBTSHRCYP2C19TDP1 | |
| SCHEMBL2481566 | 0.76 | CES1 (0.48) | CES1POLBTSHRCYP2C19TDP1 | |
| SCHEMBL1601291 | 0.75 | CES1 (0.52) | CES1POLBTSHRCYP2C19TDP1 | |
| SCHEMBL28013534 | 0.74 | SMN1; SMN2 (0.46) | CES1POLBCYP2C19TDP1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL6506892 | 0.74 | CES1 (0.50) | CES1POLBTSHRCYP2C19TDP1 | |
| SCHEMBL7202702 | 0.74 | TSHR (0.50) | CES1POLBTSHRCYP2C19TDP1 | |
| SCHEMBL4125957 | 0.73 | TDP1 (0.54) | CES1POLBTSHRCYP2C19TDP1 | |
| SCHEMBL28928425 | 0.72 | CES1 (0.48) | CES1POLBTSHRCYP2C19TDP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5106843-A | Treatment of migraine, emesis, anxiety, gastrointestinal disorders, psychological disorders | AMERICAN HOME PRODUCTS CORPORATION (US) | 1992-04-21 | — | — | US | disclosed |
| EP-0323077-B1 | HETEROCYCLIC COMPOUNDS | JOHN WYETH & BROTHER LIMITED (GB) | 1991-09-11 | — | — | EP | disclosed |
| US-4983600-A | Antiemetics, antianxiety agents, gastrointestinal disorders | JOHN WYETH & BROTHER LIMITED (GB) | 1991-01-08 | — | — | US | disclosed |
| EP-0323077-A1 | Heterocyclic compounds | JOHN WYETH & BROTHER LIMITED (GB) | 1989-07-05 | — | — | EP | disclosed |
| EP-0030518-A1 | Substituted N-3-trifluoromethyl-N-benzoyl ureas, process for their preparation, compositions containing these compounds and their use in combating pests | CIBA-GEIGY AG (CH) | 1981-06-17 | — | — | EP | disclosed |