Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HTR3A | P46098 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11613543 | 0.99 | ALDH1A1 (0.48) | ALDH1A1HPGDHTR3AKDM4EADRB1 | |
| SCHEMBL5061066 | 0.77 | KDM4E (0.50) | HPGDKDM4EUSP2HTTHSD17B10 | |
| SCHEMBL5104884 | 0.76 | KDM1A (0.55) | ALDH1A1HTR2AKMT2APOLB | |
| SCHEMBL5118867 | 0.74 | KDM4E (0.35) | ALDH1A1HPGDHTR3AKDM4EHTR3E | |
| SCHEMBL5060990 | 0.74 | PDE4B (0.42) | — | |
| SCHEMBL5111993 | 0.73 | MARK3 (0.45) | ALDH1A1HTR1AHTR7HTR6KMT2A | |
| SCHEMBL5113643 | 0.72 | MYLK4 (0.43) | ALDH1A1HTR3AKDM4EADRB1HTR3E | |
| SCHEMBL5118866 | 0.72 | CDK4 (0.53) | — | |
| SCHEMBL5055184 | 0.71 | ALDH1A1 (0.56) | ALDH1A1HPGDHTR3AKDM4EADRB1 | |
| Hydrochloric Acid SCHEMBL11613130 | 0.70 | ALDH1A1 (0.55) | ALDH1A1HPGDHTR3AKDM4EADRB1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4091098-A | SEROTONINMIMETIC ACTIVITY; ANORECTIC, ANTIDEPRESSANT, ANALGESIC, HYPNOTIC AGENTS | MERCK & CO., INC. (US) | 1978-05-23 | — | — | US | claimed |