Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ADH1B | P00325 | 1/20 | 0.40 |
| ▸ | ADH1C | P00326 | 1/20 | 0.40 |
| ▸ | ADH1A | P07327 | 1/20 | 0.40 |
| ▸ | ADH4 | P08319 | 1/20 | 0.40 |
| ▸ | ADH7 | P40394 | 1/20 | 0.40 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | FAAH | O00519 | 2/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 2/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10818828 | 0.93 | TP53 (0.40) | TP53ADH1BADH1CADH1AADH4 | |
| SCHEMBL10869368 | 0.88 | MEN1 (0.41) | TP53ADH1BADH1CADH1AADH4 | |
| SCHEMBL8750526 | 0.85 | ADH1B (0.47) | TP53ADH1BADH1CADH1AADH4 | |
| SCHEMBL11466989 | 0.85 | ADH1B (0.47) | TP53ADH1BADH1CADH1AADH4 | |
| SCHEMBL1619643 | 0.85 | ADH1B (0.47) | TP53ADH1BADH1CADH1AADH4 | |
| SCHEMBL10711540 | 0.85 | ADH1B (0.47) | TP53ADH1BADH1CADH1AADH4 | |
| SCHEMBL11801402 | 0.85 | ADH1B (0.47) | TP53ADH1BADH1CADH1AADH4 | |
| SCHEMBL19923774 | 0.85 | ADH1B (0.47) | TP53ADH1BADH1CADH1AADH4 | |
| SCHEMBL11801938 | 0.85 | ADH1B (0.47) | TP53ADH1BADH1CADH1AADH4 | |
| SCHEMBL27493677 | 0.85 | ADH1B (0.47) | TP53ADH1BADH1CADH1AADH4 |
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-4013576-A | AMPHOTERIC SURFACTANT | WESLEY-JESSEN INC. (US) | 1977-03-22 | — | — | US | claimed |
| US-4013576-A | AMPHOTERIC SURFACTANT | WESLEY-JESSEN INC. (US) | 1977-03-22 | — | — | US | disclosed |