Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ANPEP | P15144 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11020156 | 1.00 | KMT2A (0.46) | KMT2ACYP2D6ALOX5ALDH1A1TDP1 | |
| SCHEMBL11024343 | 1.00 | KMT2A (0.46) | KMT2ACYP2D6ALOX5ALDH1A1TDP1 | |
| SCHEMBL11020054 | 1.00 | KMT2A (0.46) | KMT2ACYP2D6ALOX5ALDH1A1TDP1 | |
| SCHEMBL11021458 | 1.00 | KMT2A (0.46) | KMT2ACYP2D6ALOX5ALDH1A1TDP1 | |
| Alcohol SCHEMBL11236127 | 0.94 | KMT2A (0.41) | KMT2ACYP2D6ALOX5ALDH1A1TDP1 | |
| SCHEMBL9046865 | 0.92 | FFAR2 (0.44) | KMT2AALDH1A1LMNA | |
| SCHEMBL11238071 | 0.86 | ALDH1A1 (0.54) | KMT2ACYP2D6ALOX5ALDH1A1TDP1 | |
| SCHEMBL10985431 | 0.86 | ALDH1A1 (0.54) | KMT2ACYP2D6ALOX5ALDH1A1TDP1 | |
| SCHEMBL10992657 | 0.86 | ALDH1A1 (0.54) | KMT2ACYP2D6ALOX5ALDH1A1TDP1 | |
| SCHEMBL11231851 | 0.86 | ALDH1A1 (0.54) | KMT2ACYP2D6ALOX5ALDH1A1TDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0060580-B1 | CRYSTALLINE PHENYLACETATE ENANTIOMER PAIR, AND PREPARATION OF A PESTICIDAL ENANTIOMER PAIR | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1985-06-05 | — | — | EP | claimed |
| EP-0060580-A1 | Crystalline phenylacetate enantiomer pair, and preparation of a pesticidal enantiomer pair | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1982-09-22 | — | — | EP | claimed |
| EP-0060580-B1 | CRYSTALLINE PHENYLACETATE ENANTIOMER PAIR, AND PREPARATION OF A PESTICIDAL ENANTIOMER PAIR | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1985-06-05 | — | — | EP | disclosed |
| EP-0060580-A1 | Crystalline phenylacetate enantiomer pair, and preparation of a pesticidal enantiomer pair | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1982-09-22 | — | — | EP | disclosed |