Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 4/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4321578 | 0.90 | KDM4E (0.35) | SLC6A4HTR2AHTR2CHTR1AKDM4E | |
| SCHEMBL4321555 | 0.86 | OGA (0.38) | KDM4EALDH1A1 | |
| SCHEMBL4323528 | 0.78 | TAAR1 (0.58) | HTR2CKDM4EALDH1A1 | |
| SCHEMBL4321540 | 0.78 | AOC3 (0.53) | HTR2CHTR6PLD1 | |
| SCHEMBL4318002 | 0.76 | NTRK1 (0.47) | SLC6A4HTR2AHTR2CHTR7HTR1A | |
| SCHEMBL4321625 | 0.76 | SIGMAR1 (0.46) | HTR2CHTR6PLD1KDM4EALDH1A1 | |
| SCHEMBL4328122 | 0.76 | HRH4 (0.47) | SLC6A4HTR2CHTR7HTR1AHTR6 | |
| SCHEMBL4331027 | 0.76 | HRH4 (0.41) | SLC6A4HTR2AHTR2CHTR7HTR1A | |
| SCHEMBL4321563 | 0.76 | ACHE (0.48) | HTR6KDM4EALDH1A1 | |
| SCHEMBL4327893 | 0.74 | NTRK1 (0.39) | HTR2AHTR2CHTR7HTR1APLD1 |
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-2009145360-A1 | BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | R-TECH UENO, LTD. (JP) | 2009-12-03 | — | — | WO | disclosed |