Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.33 |
| ▸ | HTR1A | P08908 | 3/20 | 0.33 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HCN4 | Q9Y3Q4 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.31 |
| ▸ | PRKCB | P05771 | 1/20 | 0.31 |
| ▸ | PRKCA | P17252 | 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 | |
|---|---|---|---|---|
| SCHEMBL9625002 | 0.97 | DRD2 (0.33) | DRD2HTR1AHTR2ASIGMAR1KDM4E | |
| SCHEMBL9624338 | 0.97 | SIGMAR1 (0.34) | DRD2HTR1AHTR2ASIGMAR1KDM4E | |
| SCHEMBL9624284 | 0.84 | KDM4E (0.36) | DRD2HTR1AHTR2ASIGMAR1KDM4E | |
| SCHEMBL9623825 | 0.82 | KDM4E (0.36) | DRD2HTR1AHTR2ASIGMAR1KDM4E | |
| SCHEMBL9624670 | 0.82 | CYP3A4 (0.34) | DRD2SIGMAR1KDM4ETSHRSMN1; SMN2 | |
| SCHEMBL10643999 | 0.82 | HCN4 (0.42) | DRD2HTR1AMAPTHCN4CYP3A4 | |
| SCHEMBL9624315 | 0.81 | ALOX15 (0.36) | DRD2HTR1AHTR2ASIGMAR1KDM4E | |
| SCHEMBL9624076 | 0.80 | PRKCB (0.33) | DRD2MAPTPRKCBPRKCAPRKCH | |
| SCHEMBL9624412 | 0.80 | KDM4E (0.34) | DRD2KDM4ETSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL9625216 | 0.80 | TACR2 (0.41) | DRD2HTR1AHTR2ASIGMAR1KDM4E |
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 |