Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | THPO | P40225 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | HTR1D | P28221 | 12/20 | 0.55 |
| ▸ | HTR1B | P28222 | 12/20 | 0.55 |
| ▸ | HTR1A | P08908 | 2/20 | 0.51 |
| ▸ | HTR1F | P30939 | 2/20 | 0.51 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | HTR6 | P50406 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8208630 | 1.00 | NOS1 (0.58) | NOS1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8196551 | 0.91 | HTR1D (0.62) | CYP1A2CYP3A4CYP2D6CYP2C9THPO | |
| SCHEMBL8205314 | 0.82 | HTR1D (0.62) | NOS1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8205310 | 0.82 | HTR1D (0.62) | NOS1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7013891 | 0.78 | HTR1D (0.66) | CYP1A2CYP3A4CYP2D6CYP2C9THPO | |
| SCHEMBL8205311 | 0.78 | NOS1 (0.62) | NOS1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7482687 | 0.78 | NOS1 (0.62) | NOS1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8185092 | 0.76 | HTR1D (0.57) | NOS1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7335724 | 0.76 | HTR6 (0.68) | NOS1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8915078 | 0.75 | CYP1A2 (0.61) | NOS1CYP1A2CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000000490-A2 | 5-HT1F AGONISTS | ELI LILLY AND COMPANY (US) | 2000-01-06 | — | — | WO | disclosed |