Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 5/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.39 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HCN4 | Q9Y3Q4 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL9623564 | 0.93 | SMPD1 (0.36) | SMPD1MAPTHCN4CYP3A4ALOX15 | |
| SCHEMBL9624153 | 0.89 | MTNR1A (0.41) | MTNR1AMTNR1BSMPD1MAPTHCN4 | |
| SCHEMBL9624301 | 0.89 | MAPT (0.35) | MAPTHCN4CYP3A4ALOX15 | |
| SCHEMBL9624202 | 0.89 | HCN4 (0.44) | MTNR1AMTNR1BSMPD1MAPTHCN4 | |
| SCHEMBL9623739 | 0.88 | CYP2A6 (0.35) | MAPTHCN4CYP3A4ALOX15 | |
| SCHEMBL9625186 | 0.87 | SMPD1 (0.34) | SMPD1MAPTHCN4 | |
| SCHEMBL9624428 | 0.84 | KDM4E (0.32) | MAPTHCN4KDM4EALDH1A1 | |
| SCHEMBL9624076 | 0.84 | PRKCB (0.33) | MAPT | |
| SCHEMBL9625049 | 0.83 | HTR1A (0.49) | MTNR1AMTNR1BMAPT | |
| SCHEMBL9624436 | 0.83 | PRKCB (0.33) | — |
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 |