Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3731520 | 0.78 | CES1 (0.50) | CES1TSHRALDH1A1CES2DAO | |
| SCHEMBL3731519 | 0.78 | CES1 (0.50) | CES1TSHRALDH1A1CES2DAO | |
| SCHEMBL6509808 | 0.74 | CES1 (0.46) | CES1TSHRALDH1A1CES2DAO | |
| SCHEMBL29859295 | 0.74 | CES1 (0.52) | CES1TSHRALDH1A1CES2DAO | |
| SCHEMBL33083 | 0.70 | CES1 (1.00) | CES1TSHRALDH1A1CES2DAO | |
| Benzene SCHEMBL27672585 | 0.70 | CES1 (1.00) | CES1TSHRALDH1A1CES2DAO | |
| SCHEMBL25205459 | 0.70 | CES1 (0.47) | CES1TSHRALDH1A1CES2DAO | |
| SCHEMBL80355 | 0.69 | CES1 (0.48) | CES1TSHRALDH1A1CES2DAO | |
| SCHEMBL4630453 | 0.69 | CES1 (0.56) | CES1TSHRALDH1A1CES2DAO | |
| SCHEMBL536996 | 0.69 | CES1 (0.56) | CES1TSHRALDH1A1CES2DAO |
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-4691020-A | Preparation of optically active carboxylic acids | BASF AKTIENGESELLSCHAFT (DE) | 1987-09-01 | — | — | US | disclosed |
| EP-0063731-B1 | PROCESS FOR PREPARING OPTICALLY ACTIVE CARBOXYLIC ACIDS | BASF Aktiengesellschaft (DE) | 1984-07-04 | — | — | EP | disclosed |
| EP-0063731-A1 | Process for preparing optically active carboxylic acids | BASF Aktiengesellschaft (DE) | 1982-11-03 | — | — | EP | disclosed |