Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL172963 | 0.82 | — | — | |
| SCHEMBL12086036 | 0.80 | TAAR1 (0.50) | TAAR1CYP1A2CYP2D6CYP2C19CYP2C9 | |
| Formaldehyde SCHEMBL27915397 | 0.78 | TAAR1 (0.48) | TAAR1CYP1A2CYP2D6CYP2C19CYP2C9 | |
| Methylamine SCHEMBL11265851 | 0.78 | TAAR1 (0.54) | TAAR1HTR1ACYP1A2CYP2D6CYP2C19 | |
| Aziridine SCHEMBL11842552 | 0.77 | SLC6A2 (0.53) | SLC6A2SLC6A4HTR2CTAAR1HTR1A | |
| Piperidine SCHEMBL7617785 | 0.74 | CLCN2 (0.46) | SLC6A2SLC6A4CYP2C9ALDH1A1TP53 | |
| Propylamine SCHEMBL11274249 | 0.72 | TAAR1 (0.59) | TAAR1CYP1A2CYP2D6CYP2C19CYP2C9 | |
| Acetic Acid SCHEMBL30931543 | 0.72 | CYP1A2 (0.50) | TAAR1CYP1A2CYP2D6CYP2C19CYP2C9 | |
| Formic Acid SCHEMBL28099501 | 0.72 | TAAR1 (0.43) | TAAR1CYP1A2CYP2D6CYP2C19CYP2C9 | |
| Formamide SCHEMBL27667903 | 0.72 | TAAR1 (0.48) | TAAR1CYP1A2CYP2D6CYP2C19CYP2C9 |
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-4360511-A | Amines useful as brain imaging agents | MEDI-PHYSICS, INC. (US) | 1982-11-23 | — | — | US | disclosed |
| EP-0011858-A1 | Radioiodine containing amines, their preparation and their use as brain imaging agents | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1980-06-11 | — | — | EP | disclosed |