Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.35 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL8981785 | 0.92 | CASR (0.40) | CASRGAAKMT2ALMNAIMPDH2 | |
| SCHEMBL9326049 | 0.76 | CASR (0.57) | CASRGAAKMT2ALMNAALDH1A1 | |
| SCHEMBL8688642 | 0.75 | CYP3A4 (0.41) | KMT2ALMNAALDH1A1MEN1ESR1 | |
| SCHEMBL8690601 | 0.74 | AOC3 (0.38) | GAALMNAALDH1A1PKMCA1 | |
| SCHEMBL8618867 | 0.70 | MAPT (0.41) | IMPDH2IMPDH1TP53MAPT | |
| SCHEMBL18545738 | 0.70 | CASR (0.51) | CASRGAAKMT2AALDH1A1MEN1 | |
| SCHEMBL2951312 | 0.69 | CA1 (0.52) | CASRGAAKMT2ALMNAALDH1A1 | |
| SCHEMBL29472193 | 0.69 | CA1 (0.52) | CASRGAAKMT2ALMNAALDH1A1 | |
| SCHEMBL19468259 | 0.68 | CA1 (0.57) | CASRGAALMNAALDH1A1CA1 | |
| SCHEMBL8618808 | 0.68 | ALDH1A1 (0.32) | KMT2ALMNAALDH1A1ESR1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-1995001967-A1 | NOVEL (1-PHENYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS | ASTRA AKTIEBOLAG (SE) | 1995-01-19 | — | — | WO | disclosed |