Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.52 |
| ▸ | NOS1 | P29475 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | LTA4H | P09960 | 3/20 | 0.48 |
| ▸ | PLA2G2A | P14555 | 3/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.47 |
| ▸ | HTR1D | P28221 | 3/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL9449311 | 0.92 | IMPDH2 (0.50) | NOS3NOS1CYP3A4CYP2C19TRPM8 | |
| SCHEMBL9448957 | 0.84 | NOS3 (0.48) | NOS3NOS1CYP3A4CYP2C19KDM4E | |
| SCHEMBL9449109 | 0.83 | HTR1A (0.47) | NOS3NOS1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL9448836 | 0.81 | HTR2A (0.61) | NOS3NOS1SLC6A4 | |
| SCHEMBL9449668 | 0.79 | TRPM8 (0.51) | TRPM8KDM4EMAPTCHRNB2CHRNB4 | |
| SCHEMBL26863407 | 0.78 | TRPM8 (0.56) | CYP1A2CYP3A4CYP2C19TRPM8KDM4E | |
| SCHEMBL5363538 | 0.78 | CYP1A2 (0.60) | NOS3NOS1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL4311896 | 0.77 | HTR2C (0.55) | NOS3NOS1CYP3A4CYP2C19KDM4E | |
| SCHEMBL3546179 | 0.77 | CYP3A4 (0.56) | NOS3NOS1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL5705128 | 0.77 | HTR2C (0.56) | CYP1A2CYP3A4CYP2C19TRPM8KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5227386-A | INDOLE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-07-13 | — | — | US | disclosed |