Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 8/20 | 0.44 |
| ▸ | HTR2A | P28223 | 4/20 | 0.44 |
| ▸ | HTR1A | P08908 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 3/20 | 0.43 |
| ▸ | HTR3A | P46098 | 3/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.43 |
| ▸ | HTR7 | P34969 | 2/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4332133 | 0.85 | AOC3 (0.55) | HTR2CHTR1AALDH1A1KDM4ECYP1A2 | |
| SCHEMBL4327893 | 0.82 | NTRK1 (0.39) | HTR2CHTR2AHTR1AALDH1A1CYP1A2 | |
| SCHEMBL4321945 | 0.81 | BPTF (0.43) | HTR2CHTR1AALDH1A1KDM4ECYP1A2 | |
| SCHEMBL4318002 | 0.79 | NTRK1 (0.47) | HTR2CHTR2AHTR1AALDH1A1KDM4E | |
| SCHEMBL4338448 | 0.78 | AOC3 (0.53) | AOC3 | |
| SCHEMBL4323521 | 0.77 | AOC3 (0.54) | ALDH1A1KDM4ECYP1A2CYP3A4HSD17B10 | |
| SCHEMBL4328122 | 0.76 | HRH4 (0.47) | HTR2CHTR1AALDH1A1KDM4ECYP1A2 | |
| SCHEMBL4321563 | 0.76 | ACHE (0.48) | ALDH1A1KDM4ECYP1A2CYP3A4HSD17B10 | |
| SCHEMBL4323528 | 0.76 | TAAR1 (0.58) | HTR2CALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL3267269 | 0.76 | TAAR1 (0.54) | HTR2CHTR2AHTR1AALDH1A1KDM4E |
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 2 patents. 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 | claimed |
| WO-2009145360-A1 | BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | R-TECH UENO, LTD. (JP) | 2009-12-03 | — | — | WO | disclosed |