Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CARM1 | Q86X55 | 1/20 | 0.43 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL15845807 | 0.83 | CARM1 (0.44) | CARM1PRMT6ATMHRH3HTR2A | |
| SCHEMBL15845660 | 0.81 | ATM (0.43) | CARM1PRMT6ATMHRH3HTR2A | |
| SCHEMBL15845586 | 0.79 | TEAD1 (0.44) | ATMSIGMAR1FAAHCHRM3ALDH1A1 | |
| SCHEMBL28036593 | 0.78 | FAAH (0.36) | CARM1PRMT6ATMSIGMAR1FAAH | |
| SCHEMBL15845815 | 0.77 | KDM4E (0.51) | KDM4E | |
| SCHEMBL15845824 | 0.75 | IDO1 (0.41) | CHRM3SLC6A4 | |
| SCHEMBL18171754 | 0.68 | IDO1 (0.57) | CARM1PRMT6CHRM3ALDH1A1TSHR | |
| SCHEMBL18171753 | 0.68 | IDO1 (0.57) | CARM1PRMT6CHRM3ALDH1A1TSHR | |
| Tert-Butyl Formate SCHEMBL28036594 | 0.68 | SLC6A4 (0.35) | CHRM3ALDH1A1SLC6A4 | |
| SCHEMBL18171748 | 0.68 | IDO1 (0.61) | CARM1PRMT6CHRM3ALDH1A1TSHR |
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-104903300-B | COMT inhibitor | 霍夫曼-拉罗奇有限公司 | 2018-04-17 | — | — | CN | disclosed |