Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 5/20 | 0.64 |
| ▸ | MPO | P05164 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.54 |
| ▸ | NOS3 | P29474 | 2/20 | 0.53 |
| ▸ | NOS2 | P35228 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL21153746 | 0.88 | CYP1A2 (0.58) | NOS1MPOKDM4ENOS3CYP1A2 | |
| SCHEMBL6675557 | 0.83 | MAOA (0.63) | MPOCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL20804644 | 0.81 | NOS1 (0.56) | NOS1MPOKDM4ETAAR1NOS3 | |
| SCHEMBL16942767 | 0.78 | NOS1 (1.00) | NOS1NOS3 | |
| SCHEMBL16947894 | 0.78 | NOS1 (1.00) | NOS1NOS3 | |
| SCHEMBL10480660 | 0.78 | TAAR1 (0.58) | NOS1MPOKDM4ETAAR1CYP1A2 | |
| SCHEMBL21153747 | 0.78 | GAA (0.56) | NOS1MPOKDM4ECYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL16930402 | 0.77 | NOS1 (1.00) | NOS1NOS3 | |
| SCHEMBL16942773 | 0.77 | NOS1 (0.84) | NOS1NOS3 | |
| SCHEMBL16947767 | 0.77 | NOS1 (0.84) | NOS1NOS3 |
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-9682950-B2 | Thiophene-2-carboximidamide based selective neuronal nitric oxide synthase inhibitors | NORTHWESTERN UNIVERSITY (US) | 2017-06-20 | — | — | US | disclosed |