Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 4/20 | 0.39 |
| ▸ | ADH1A | P07327 | 4/20 | 0.39 |
| ▸ | ADH7 | P40394 | 3/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | ADH1C | P00326 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.32 |
| ▸ | ADH4 | P08319 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16384411 | 0.79 | MCL1 (0.42) | MCL1CNR1LMNAEPHX1FAAH | |
| SCHEMBL30520938 | 0.75 | ADH1B (0.48) | ADH1BADH1AADH7MCL1CNR1 | |
| SCHEMBL27447992 | 0.75 | ADH1B (0.48) | ADH1BADH1AADH7MCL1CNR1 | |
| SCHEMBL16384409 | 0.73 | — | — | |
| SCHEMBL22455943 | 0.73 | CNR1 (0.46) | ADH1BADH1AADH7MCL1CNR1 | |
| SCHEMBL18736128 | 0.71 | MCL1 (0.45) | MCL1CNR1EPHX1FAAHMMP1 | |
| SCHEMBL18878750 | 0.70 | ADH1B (0.56) | ADH1BADH1AADH7MCL1CNR1 | |
| SCHEMBL17850605 | 0.69 | MCL1 (0.40) | MCL1CNR1EPHX1MMP1MMP2 | |
| SCHEMBL1380471 | 0.68 | MCL1 (0.50) | MCL1CNR1LMNAEPHX1MMP1 | |
| SCHEMBL19114217 | 0.68 | ADH1B (0.56) | ADH1BADH1AADH7CNR1ADH1C |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2809660-B1 | MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 | ENSEMBLE THERAPEUTICS CORP (US) | 2016-01-20 | — | — | EP | disclosed |