Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | GHSR | Q92847 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 2/20 | 0.39 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6689076 | 0.98 | TAAR1 (0.44) | TAAR1ALDH1A1CYP1A2CYP2A6KDM4E | |
| SCHEMBL6675110 | 0.81 | TAAR1 (0.47) | TAAR1GHSRNOS3NOS1NOS2 | |
| SCHEMBL6677762 | 0.80 | TAAR1 (0.46) | TAAR1ALDH1A1CYP1A2CYP2A6KDM4E | |
| SCHEMBL17976400 | 0.80 | GHSR (0.55) | GHSR | |
| SCHEMBL20999943 | 0.80 | NOS3 (0.46) | TAAR1ALDH1A1CYP1A2CYP2A6KDM4E | |
| Hydrochloric Acid SCHEMBL6677772 | 0.79 | TAAR1 (0.44) | TAAR1ALDH1A1CYP1A2CYP2A6KDM4E | |
| Bromide SCHEMBL7202745 | 0.77 | NOS3 (0.46) | TAAR1ALDH1A1CYP1A2CYP2A6KDM4E | |
| SCHEMBL6676752 | 0.77 | TAAR1 (0.35) | TAAR1KMT2ABLMTDP1 | |
| SCHEMBL6677583 | 0.77 | BACE1 (0.39) | TAAR1ALDH1A1CYP1A2CYP2A6KDM4E | |
| SCHEMBL13911596 | 0.77 | TAAR1 (0.48) | TAAR1ALDH1A1CYP1A2CYP2A6KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0798292-B1 | ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY | CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) | 2004-11-03 | — | — | EP | claimed |