Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | ACLY | P53396 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4799749 | 0.80 | TDO2 (0.51) | MEN1KMT2AKDM4EALDH1A1GAA | |
| SCHEMBL15577522 | 0.79 | KDM4E (0.55) | CYP1A1CYP1B1MEN1KMT2AKDM4E | |
| SCHEMBL18532398 | 0.79 | MAOB (0.43) | CYP1A1CYP1B1MEN1KMT2AF2RL3 | |
| SCHEMBL14435490 | 0.74 | SCN9A (0.39) | MEN1KMT2AKDM4EGAAMAPT | |
| SCHEMBL15577732 | 0.73 | ALDH1A1 (0.46) | CYP1A1CYP1B1MEN1KMT2AKDM4E | |
| SCHEMBL4600422 | 0.72 | ERN1 (0.50) | MEN1KMT2AKDM4EALDH1A1ACLY | |
| SCHEMBL12539439 | 0.71 | TRPV3 (0.53) | KMT2AHPGDHSD17B10 | |
| SCHEMBL6061082 | 0.70 | HPGD (0.47) | KDM4EALDH1A1L3MBTL1KITHPGD | |
| SCHEMBL24137877 | 0.70 | KDM1A (0.39) | KDM4EALDH1A1MCHR1CYP2C9CYP2C19 | |
| SCHEMBL8433481 | 0.70 | ALDH1A1 (0.51) | ALDH1A1ACLYKITHPGDTSHR |
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-2007089031-A1 | PIPERIDINE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-08-09 | — | — | WO | disclosed |