Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27344981 | 0.83 | ALDH1A1 (0.46) | ALDH1A1PKMMAPTLMNAMAPK1 | |
| SCHEMBL9260610 | 0.82 | ALDH1A1 (0.36) | AOC3ALDH1A1PKMMAPTLMNA | |
| SCHEMBL8688642 | 0.81 | CYP3A4 (0.41) | ALDH1A1MAPTLMNAALOX15MAPK1 | |
| Fluoride Ion SCHEMBL8981546 | 0.79 | ALDH1A1 (0.34) | AOC3ALDH1A1PKMMAPTLMNA | |
| SCHEMBL8981551 | 0.77 | ALDH1A1 (0.33) | AOC3AHRALDH1A1PKMMAPT | |
| SCHEMBL7128923 | 0.74 | CA1 (0.55) | AOC3ALDH1A1MAPTHSD11B1LMNA | |
| SCHEMBL28076770 | 0.71 | ACHE (0.62) | AOC3ALDH1A1MAPTHSD11B1LMNA | |
| SCHEMBL25485515 | 0.71 | ACHE (0.62) | AOC3ALDH1A1MAPTHSD11B1LMNA | |
| SCHEMBL29226506 | 0.70 | AOC3 (0.41) | AOC3AHRALDH1A1MAPTHSD11B1 | |
| SCHEMBL30927963 | 0.70 | AOC3 (0.41) | AOC3AHRALDH1A1MAPTHSD11B1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5747515-A | Heterocyclic compounds and compositions having nevropharmacological potential | ASTRA AKTIEBOLAG (SE) | 1998-05-05 | — | — | US | claimed |
| US-5747515-A | Heterocyclic compounds and compositions having nevropharmacological potential | ASTRA AKTIEBOLAG (SE) | 1998-05-05 | — | — | US | disclosed |
| EP-0707573-A1 | NOVEL (1-PHENYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS | Astra Aktiebolag (SE) | 1996-04-24 | — | — | EP | disclosed |
| WO-1995001967-A1 | NOVEL (1-PHENYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS | ASTRA AKTIEBOLAG (SE) | 1995-01-19 | — | — | WO | disclosed |