Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | TBXAS1 | P24557 | 7/20 | 0.44 |
| ▸ | HRH1 | P35367 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7426036 | 1.00 | CYP2A6 (0.46) | CYP2A6TDP1L3MBTL1TBXAS1HRH1 | |
| SCHEMBL6570928 | 0.87 | HTR2A (0.42) | — | |
| SCHEMBL8200325 | 0.80 | CYP2A6 (0.68) | CYP2A6TDP1L3MBTL1TBXAS1HRH1 | |
| SCHEMBL5332631 | 0.80 | KCNH2 (0.40) | HTR1A | |
| SCHEMBL8083439 | 0.80 | ABCB1 (0.44) | TDP1HRH1HTR1ADRD2HRH4 | |
| SCHEMBL8653072 | 0.80 | CYP11B1 (0.45) | L3MBTL1TBXAS1 | |
| SCHEMBL7431316 | 0.80 | ABCB1 (0.44) | TDP1HRH1HTR1ADRD2HRH4 | |
| SCHEMBL8097884 | 0.79 | HTR1A (0.46) | CYP2A6TDP1L3MBTL1TBXAS1HRH1 | |
| SCHEMBL8083420 | 0.77 | L3MBTL1 (0.40) | CYP2A6TDP1L3MBTL1TBXAS1HRH1 | |
| SCHEMBL8199794 | 0.77 | TDP1 (0.71) | CYP2A6TDP1L3MBTL1TBXAS1HRH1 |
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-6124328-A | TREATING NERVE CELLS WITH A NEUROTROPHIC AGENT; PROMOTING REPAIR OF NEURONAL DAMAGE CAUSED BY DISEASE OR PHYSICAL TRAUMA | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2000-09-26 | — | — | US | disclosed |
| US-6037370-A | TREATING ALZHEIMER*S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, PARKINSON*S DISEASE, AND OTHER NERVOUS SYSTEM DISORDERS WITH PEPTIDE DERIVATIVES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2000-03-14 | — | — | US | disclosed |