Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 9/20 | 0.61 |
| ▸ | HTR6 | P50406 | 11/20 | 0.53 |
| ▸ | HTR1A | P08908 | 2/20 | 0.53 |
| ▸ | HTR1D | P28221 | 2/20 | 0.53 |
| ▸ | HTR1B | P28222 | 2/20 | 0.53 |
| ▸ | HTR1F | P30939 | 2/20 | 0.53 |
| ▸ | HTR7 | P34969 | 2/20 | 0.53 |
| ▸ | DRD3 | P35462 | 2/20 | 0.53 |
| ▸ | DRD2 | P14416 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL3622409 | 0.76 | HTR6 (0.77) | HTR6HTR1AHTR1DHTR1BHTR1F | |
| SCHEMBL9054758 | 0.73 | HTR6 (0.48) | HTR6HTR1AHTR1DHTR1BHTR1F | |
| SCHEMBL4029770 | 0.71 | HTR6 (0.72) | HTR6HTR1AHTR1DHTR1BHTR1F | |
| Metesind SCHEMBL6703943 | 0.70 | TYMS (1.00) | TYMS | |
| SCHEMBL7449413 | 0.70 | HTR6 (0.71) | HTR6HTR1AHTR1DHTR1BHTR1F | |
| SCHEMBL3611374 | 0.70 | HTR6 (0.80) | HTR6HTR1AHTR1DHTR1BHTR1F | |
| SCHEMBL7245193 | 0.70 | HTR6 (1.00) | HTR6HTR1AHTR1DHTR1BHTR1F | |
| SCHEMBL13378917 | 0.69 | HTR6 (0.66) | HTR6HTR1AHTR1DHTR1BHTR1F | |
| Hydrochloric Acid SCHEMBL3624923 | 0.69 | HTR6 (0.78) | HTR6HTR1AHTR1DHTR1BHTR1F | |
| Trifluoroacetic Acid SCHEMBL3621161 | 0.69 | HTR6 (0.65) | HTR6HTR1AHTR1DHTR1BHTR1F |
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-5545744-A | Cyano naphthalene compounds | AGOURON PHARMACEUTICALS, INC. (US) | 1996-08-13 | — | — | US | disclosed |
| US-5498727-A | Preparation of benzindole compounds from naphthalene compounds | AGOURON PHARMACEUTICALS, INC. (US) | 1996-03-12 | — | — | US | disclosed |
| WO-1996002502-A1 | PREPARATION OF BENZINDOLE COMPOUNDS FROM NAPHTHALENE COMPOUNDS | AGOURON PHARMACEUTICALS, INC. (US) | 1996-02-01 | — | — | WO | disclosed |