Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | CTSK | P43235 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 7/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.39 |
| ▸ | NPC1 | O15118 | 6/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | MMEL1 | Q495T6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6654292 | 0.79 | FAAH (0.42) | CTSKRAB9AHPGDLMNAPOLB | |
| SCHEMBL6654077 | 0.78 | PLA2G10 (0.46) | CTSKRAB9AHPGDLMNASMN1; SMN2 | |
| SCHEMBL7447309 | 0.77 | CTSK (0.45) | ALDH1A1HSD17B10CTSKRAB9AHPGD | |
| SCHEMBL15564677 | 0.77 | ALDH1A1 (0.43) | ALDH1A1HSD17B10CTSKRAB9AHPGD | |
| SCHEMBL6692027 | 0.76 | EPHX1 (0.41) | ALDH1A1CTSKRAB9AHPGDSMN1; SMN2 | |
| SCHEMBL2910068 | 0.71 | CYP2C19 (0.47) | ALDH1A1CTSKHPGDPOLBKDM4E | |
| SCHEMBL844472 | 0.71 | SMN1; SMN2 (0.57) | ALDH1A1CTSKRAB9AHPGDLMNA | |
| SCHEMBL14040614 | 0.71 | SMN1; SMN2 (0.57) | ALDH1A1CTSKRAB9AHPGDLMNA | |
| SCHEMBL4265545 | 0.71 | SMN1; SMN2 (0.50) | ALDH1A1RAB9AHPGDLMNASMN1; SMN2 | |
| SCHEMBL6656147 | 0.71 | FAAH (0.41) | ALDH1A1HSD17B10CTSKRAB9AHPGD |
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-2882725-A1 | SUBSTITUTED HETERO-AZEPINONES | F. Hoffmann-La Roche AG (CH) | 2015-06-17 | — | — | EP | disclosed |
| WO-2014023708-A1 | SUBSTITUTED HETERO-AZEPINONES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-13 | — | — | WO | disclosed |