Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 7/20 | 0.42 |
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL7426041 | 0.94 | CFTR (0.41) | CYP2A6TBXAS1CYP19A1 | |
| SCHEMBL6570932 | 0.88 | CYP19A1 (0.46) | CYP19A1 | |
| SCHEMBL6160319 | 0.81 | CYP2A6 (0.64) | CYP2A6TDP1L3MBTL1TBXAS1HRH1 | |
| SCHEMBL6158950 | 0.81 | CYP2A6 (0.59) | CYP2A6TDP1L3MBTL1TBXAS1HRH1 | |
| SCHEMBL8195412 | 0.80 | CYP2A6 (0.59) | CYP2A6TDP1L3MBTL1TBXAS1HRH1 | |
| SCHEMBL8091508 | 0.80 | CYP2A6 (0.49) | CYP2A6TDP1L3MBTL1TBXAS1HRH1 | |
| SCHEMBL6157740 | 0.80 | CYP2A6 (0.57) | CYP2A6TDP1L3MBTL1TBXAS1HRH1 | |
| SCHEMBL8097885 | 0.79 | HTR1A (0.46) | CYP19A1 | |
| SCHEMBL8083421 | 0.79 | L3MBTL1 (0.36) | CYP2A6TDP1L3MBTL1TBXAS1 | |
| SCHEMBL8083442 | 0.78 | HRH1 (0.40) | HRH1CYP19A1 |
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 |