Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HCN4 | Q9Y3Q4 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 3/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD5 | P21918 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL9624333 | 0.93 | MAPT (0.42) | SMPD1MAPTHCN4HTR1ACYP3A4 | |
| SCHEMBL9624193 | 0.90 | SMPD1 (0.39) | SMPD1MAPTHCN4HTR1ACYP3A4 | |
| SCHEMBL9624633 | 0.84 | SIGMAR1 (0.36) | SMPD1HTR1ASIGMAR1 | |
| SCHEMBL9624539 | 0.82 | MAPT (0.40) | SMPD1MAPTHCN4HTR1ACYP3A4 | |
| SCHEMBL9624957 | 0.82 | HRH3 (0.40) | SMPD1MAPTHTR1AMEN1ALDH1A1 | |
| SCHEMBL9624923 | 0.81 | SMPD1 (0.45) | SMPD1MAPTHCN4HTR1ACYP3A4 | |
| SCHEMBL9625352 | 0.79 | MAPT (0.40) | SMPD1MAPTHCN4CYP3A4ALOX15 | |
| SCHEMBL9624107 | 0.79 | MAPT (0.42) | SMPD1MAPTHCN4HTR1ACYP3A4 | |
| SCHEMBL9624504 | 0.77 | HTR2A (0.43) | SMPD1MAPTALOX15DRD2ALDH1A1 | |
| SCHEMBL9624887 | 0.77 | HTR6 (0.45) | SMPD1MAPTHCN4CYP3A4ALOX15 |
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 |