Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 6/20 | 0.47 |
| ▸ | BRAF | P15056 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | AGPAT2 | O15120 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | STAT1 | P42224 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CDC25A | P30304 | 1/20 | 0.41 |
| ▸ | DUSP3 | P51452 | 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 | |
|---|---|---|---|---|
| SCHEMBL11653085 | 0.77 | MGLL (0.58) | CNR1ALDH1A1FAAHCYP3A4MAPK1 | |
| SCHEMBL13680544 | 0.76 | CNR1 (0.51) | CNR1FYNMAPTCNR2ALDH1A1 | |
| SCHEMBL14637548 | 0.74 | NQO2 (0.45) | CNR1MAPTAGPAT2ALDH1A1FAAH | |
| SCHEMBL3632196 | 0.74 | CYP19A1 (0.48) | MAPTALDH1A1SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL2094875 | 0.73 | MGLL (0.68) | CNR1FAAH | |
| SCHEMBL716889 | 0.72 | MAPK1 (0.62) | MAPTALDH1A1FAAHCYP3A4MAPK1 | |
| SCHEMBL9954530 | 0.71 | ENPP3 (0.59) | MAPK1SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL14638054 | 0.71 | BRAF (0.57) | BRAFALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL9955528 | 0.71 | CYP19A1 (0.46) | ALDH1A1SMN1; SMN2KDM4ENPC1TP53 | |
| SCHEMBL1188370 | 0.71 | HPGD (0.71) | MAPTALDH1A1SMN1; SMN2NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013012827-A1 | DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-01-24 | — | — | WO | disclosed |