Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | TYR | P14679 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | ACHE | P22303 | 5/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 4/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | PTGES | O14684 | 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 | |
|---|---|---|---|---|
| SCHEMBL3597276 | 0.86 | CYP1A2 (0.56) | ALDH1A1TP53TYRTSHRTAS2R38 | |
| SCHEMBL27477068 | 0.82 | KMT2A (0.49) | ALDH1A1TP53TYRTSHRTAS2R38 | |
| SCHEMBL6676464 | 0.81 | SIGMAR1 (0.48) | KMT2AACHEALOX5BACE1BCHE | |
| Hydrochloric Acid SCHEMBL6679385 | 0.80 | SIGMAR1 (0.49) | ACHEALOX5BACE1BCHEMAOA | |
| SCHEMBL3427115 | 0.80 | ALDH1A1 (0.60) | ALDH1A1TP53TYRTSHRTAS2R38 | |
| SCHEMBL1887849 | 0.78 | CYP1A2 (0.61) | ALDH1A1TP53TYRTSHRTAS2R38 | |
| SCHEMBL7238879 | 0.78 | BACE1 (0.51) | ALDH1A1CYP1A2KMT2ABACE1MEN1 | |
| SCHEMBL27552470 | 0.78 | ALDH1A1 (0.44) | ALDH1A1TP53TYRTSHRTAS2R38 | |
| SCHEMBL7600769 | 0.77 | ACHE (0.51) | ALDH1A1TP53TYRTSHRTAS2R38 | |
| SCHEMBL13338007 | 0.77 | ALDH1A1 (0.56) | ALDH1A1TP53TYRTSHRTAS2R38 |
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 5 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 |
| CN-1310169-A | Anils with nitric oxide synzyme inhibiting function | SHUGAI SEIYAKU K K (JP) | 2001-08-29 | — | — | CN | disclosed |
| CN-1172473-A | Aniline derivatives having nitric oxide synthase inhibitory activity | CHUGAI PHARMACEUTICAL CO LTD (JP) | 1998-02-04 | — | — | CN | disclosed |
| EP-0798292-A1 | ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY | Chugai Seiyaku Kabushiki Kaisha (JP) | 1997-10-01 | — | — | EP | disclosed |