Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15498167 | 0.91 | CYP1A2 (0.49) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL9900623 | 0.89 | ALDH1A1 (0.51) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL3127049 | 0.88 | ALDH1A1 (0.56) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL3126878 | 0.87 | CYP1A2 (0.45) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL18994885 | 0.87 | ALDH1A1 (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL30877118 | 0.86 | ALDH1A1 (0.51) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL16468408 | 0.86 | ALDH1A1 (0.51) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6679985 | 0.86 | CYP2D6 (0.51) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL16467912 | 0.85 | ALDH1A1 (0.50) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL30877102 | 0.85 | ALDH1A1 (0.50) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 |
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 3 patents. 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 | disclosed |
| US-6534546-B1 | Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-03-18 | — | — | US | disclosed |
| EP-0798292-A1 | ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY | Chugai Seiyaku Kabushiki Kaisha (JP) | 1997-10-01 | — | — | EP | disclosed |