Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CHAT | P28329 | 1/20 | 0.52 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.48 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | GSR | P00390 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL156610 | 1.00 | ALDH1A1 (0.52) | ALDH1A1CHATNFE2L2CYP1A2CYP1A1 | |
| SCHEMBL3686693 | 1.00 | ALDH1A1 (0.52) | ALDH1A1CHATNFE2L2CYP1A2CYP1A1 | |
| SCHEMBL29528324 | 1.00 | ALDH1A1 (0.52) | ALDH1A1CHATNFE2L2CYP1A2CYP1A1 | |
| SCHEMBL1058814 | 0.84 | ALDH1A1 (0.62) | ALDH1A1CHATNFE2L2CYP1A2CYP1A1 | |
| SCHEMBL9586694 | 0.84 | ALDH1A1 (0.62) | ALDH1A1CHATNFE2L2CYP1A2CYP1A1 | |
| Water SCHEMBL22130353 | 0.81 | ALDH1A1 (0.59) | ALDH1A1CHATNFE2L2CYP1A2CYP1A1 | |
| SCHEMBL10322771 | 0.81 | PTGS2 (0.45) | ALDH1A1CHATNFE2L2CYP1A2CYP1A1 | |
| SCHEMBL3435919 | 0.81 | PTGS2 (0.45) | ALDH1A1CHATNFE2L2CYP1A2CYP1A1 | |
| SCHEMBL17591558 | 0.81 | NFE2L2 (0.41) | ALDH1A1NFE2L2MAPTKDM4EMEN1 | |
| SCHEMBL333122 | 0.81 | NFE2L2 (0.41) | ALDH1A1NFE2L2MAPTKDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0643781-A4 | ELECTROCATALYTIC ASYMMETRIC DIHYDROXYLATION OF OLEFINIC COMPOUNDS. | — | 1995-04-26 | — | — | EP | disclosed |
| EP-0427061-A2 | Process for the preparation of cis-2-(1H-1,2,4-triazol-1-yl-methyl)-2-(halophenyl)-3-(halophenyl)-oxirane | BASF Aktiengesellschaft (DE) | 1991-05-15 | — | — | EP | disclosed |