Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 7/20 | 0.56 |
| ▸ | CES1 | P23141 | 7/20 | 0.56 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMO | Q99835 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30383014 | 0.79 | CES2 (0.53) | CES2CES1ALDH1A1HPGDRAB9A | |
| SCHEMBL9869127 | 0.79 | CES2 (0.56) | CES2CES1NR4A1CYP19A1ALDH1A1 | |
| SCHEMBL2156437 | 0.77 | CES2 (0.72) | CES2CES1NR4A1ALDH1A1HPGD | |
| SCHEMBL10808749 | 0.77 | CES2 (0.72) | CES2CES1NR4A1ALDH1A1HPGD | |
| SCHEMBL17802344 | 0.75 | CES2 (0.59) | CES2CES1NR4A1CYP19A1ALOX15 | |
| 4-Chloro-Benzoic Acid SCHEMBL6852257 | 0.75 | ALDH1A1 (0.73) | CES2CES1NR4A1ALDH1A1HPGD | |
| SCHEMBL912515 | 0.74 | CES2 (1.00) | CES2CES1NR4A1RAB9AALOX15 | |
| O,P'-Dde (1,1-(O,P'-Dichlorodiphenyl)-2,2 Dichloroethene) SCHEMBL4906413 | 0.73 | TSHR (0.61) | CES2CES1NR4A1ALDH1A1HPGD | |
| SCHEMBL2156440 | 0.73 | CES2 (0.67) | CES2CES1NR4A1ALDH1A1HPGD | |
| SCHEMBL3138767 | 0.73 | CES2 (0.54) | CES2CES1NR4A1ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-5017595-A | Azolylmethylallyl alcohols and fungicides containing these compounds | BASF AKTIENGESELLSCHAFT (DE) | 1991-05-21 | — | — | US | disclosed |
| EP-0333059-A2 | Azolyl methyl allyl alcohols, and fungicides containing them | BASF Aktiengesellschaft (DE) | 1989-09-20 | — | — | EP | disclosed |