Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HCN4 | Q9Y3Q4 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | EDNRB | P24530 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9624412 | 0.84 | KDM4E (0.34) | KDM4ECYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL9625029 | 0.83 | MAPT (0.36) | KDM4ECYP3A4TSHRMAPTHCN4 | |
| SCHEMBL10401291 | 0.81 | NAAA (0.36) | KDM4ECYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL9624904 | 0.81 | MAPT (0.37) | KDM4ECYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL9624670 | 0.80 | CYP3A4 (0.34) | KDM4ECYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL9624741 | 0.79 | MAPT (0.39) | KDM4ECYP3A4TSHRMAPTHCN4 | |
| SCHEMBL9624644 | 0.78 | DRD2 (0.33) | KDM4ECYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL9623778 | 0.78 | EDNRB (0.36) | CYP3A4CYP2D6MAPTHCN4ALOX15 | |
| SCHEMBL9624338 | 0.77 | SIGMAR1 (0.34) | KDM4ECYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL9624914 | 0.77 | SIGMAR1 (0.34) | KDM4ECYP3A4CYP2D6CYP2C19TSHR |
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 2 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 |