Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | CASP1 | P29466 | 1/20 | 0.56 |
| ▸ | CASP7 | P55210 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | SMPD1 | P17405 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | HCN4 | Q9Y3Q4 | 1/20 | 0.40 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.40 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9623748 | 0.95 | ALDH1A1 (0.56) | ALDH1A1ALOX15KDM4ETSHRCASP1 | |
| SCHEMBL9623708 | 0.94 | ALDH1A1 (0.55) | ALDH1A1ALOX15KDM4ETSHRCASP1 | |
| SCHEMBL9624612 | 0.87 | LMNA (0.46) | ALDH1A1ALOX15KDM4ETSHRCASP1 | |
| SCHEMBL9624080 | 0.84 | SMN1; SMN2 (0.39) | ALDH1A1ALOX15KDM4ETSHRCASP1 | |
| SCHEMBL9624528 | 0.82 | LMNA (0.46) | ALDH1A1ALOX15KDM4ETSHRCASP1 | |
| SCHEMBL9625273 | 0.82 | ALDH1A1 (0.42) | ALDH1A1ALOX15KDM4ETSHRCASP1 | |
| SCHEMBL9624246 | 0.82 | HCN4 (0.46) | ALDH1A1ALOX15KDM4ETSHRCASP1 | |
| Hydrochloric Acid SCHEMBL9624740 | 0.81 | ALOX15 (0.47) | ALDH1A1ALOX15KDM4ETSHRCASP1 | |
| SCHEMBL9625199 | 0.81 | LMNA (0.45) | ALDH1A1ALOX15KDM4ETSHRCASP1 | |
| SCHEMBL9625041 | 0.79 | SMPD1 (0.45) | ALOX15SMPD1ABCB1MAPTHCN4 |
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-5116986-A | HETEROAROMATIC AMINE DERIVATIVES | DR. KARL THOMAE GMBH (DE) | 1992-05-26 | — | — | US | disclosed |
| US-4912115-A | Cardiovascular disorders | DR. KARL THOMAE GMBH (DE) | 1990-03-27 | — | — | US | disclosed |
| EP-0269968-A2 | Heteroaromatic amine derivatives, medicaments containing them and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-06-08 | — | — | EP | disclosed |