Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 7/20 | 0.50 |
| ▸ | CES1 | P23141 | 7/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL1150930 | 0.84 | KEAP1 (0.59) | CES2CES1KEAP1TTRANO1 | |
| SCHEMBL30762574 | 0.84 | KEAP1 (0.59) | CES2CES1KEAP1TTRANO1 | |
| SCHEMBL28423060 | 0.83 | CES2 (0.47) | CES2CES1KEAP1TTRANO1 | |
| SCHEMBL1804347 | 0.83 | KEAP1 (0.47) | CES2CES1KEAP1TTRANO1 | |
| SCHEMBL2584947 | 0.83 | CES2 (0.47) | CES2CES1KEAP1TTRANO1 | |
| SCHEMBL31448305 | 0.83 | CES2 (0.47) | CES2CES1KEAP1TTRANO1 | |
| SCHEMBL27883251 | 0.82 | CES2 (0.50) | CES2CES1KEAP1TTRALDH1A1 | |
| SCHEMBL15273748 | 0.79 | CES2 (0.44) | CES2CES1KEAP1TTRANO1 | |
| SCHEMBL31274973 | 0.78 | CES2 (0.42) | CES2CES1KEAP1TTRALDH1A1 | |
| SCHEMBL1151008 | 0.78 | SLC6A4 (0.47) | CES2CES1ALDH1A1HTTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-102781942-A | Disubstituted octahy-dropyrrolo [3,4-c]pyrroles as orexin receptor modulators | JANSSEN PHARMACEUTICA NV | 2012-11-14 | — | — | CN | disclosed |