Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | COMT | P21964 | 4/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL63013 | 0.82 | CYP3A4 (0.40) | ATMMGLLCYP1A2CYP2D6TSHR | |
| SCHEMBL27588539 | 0.79 | MEN1 (0.43) | ALDH1A1HSD17B10MEN1KMT2ACYP3A4 | |
| SCHEMBL27606547 | 0.79 | MAPT (0.48) | ALDH1A1CYP11B1CYP11B2TSHRMEN1 | |
| SCHEMBL27281829 | 0.79 | HSP90AA1 (0.41) | ALDH1A1HSP90AA1MGLLTP53TSHR | |
| SCHEMBL7856681 | 0.79 | MGLL (0.41) | ALDH1A1HTTATMMGLLHTR7 | |
| SCHEMBL2446722 | 0.79 | NOTUM (0.49) | ALDH1A1HTTATMMGLLHTR1A | |
| SCHEMBL27606291 | 0.78 | LMNA (0.45) | ALDH1A1ATMCYP3A4SMN1; SMN2 | |
| SCHEMBL11324213 | 0.76 | NOTUM (0.51) | ALDH1A1PKMHTTMGLLCYP1A2 | |
| SCHEMBL27665998 | 0.75 | RXRA (0.39) | ALDH1A1HTTTP53ALOX15CYP3A4 | |
| SCHEMBL27588580 | 0.74 | ALDH1A1 (0.42) | ALDH1A1HTR7CYP1A2CYP2D6MAPK1 |
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-101668742-B | Bridged six-membered ring compounds | ACTELION PHARMACEUTICALS LTD | 2014-04-30 | — | — | CN | disclosed |