Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 3/20 | 0.39 |
| ▸ | IDO1 | P14902 | 11/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | SLC11A2 | P49281 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2813530 | 0.75 | NOS1 (0.46) | NOS1IDO1MAPTNOS3NOS2 | |
| Hydrochloric Acid SCHEMBL4004919 | 0.73 | NOS1 (0.45) | NOS1IDO1MAPTTAAR1NOS3 | |
| SCHEMBL9088272 | 0.72 | — | — | |
| SCHEMBL9088268 | 0.71 | — | — | |
| SCHEMBL19248849 | 0.71 | — | — | |
| SCHEMBL10673340 | 0.70 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL5657382 | 0.68 | ALDH1A1 (0.40) | MAPTALDH1A1CYP1A2TSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL10976533 | 0.67 | ALDH1A1 (0.47) | ALDH1A1 | |
| SCHEMBL10675848 | 0.65 | CYP2C19 (0.41) | ALDH1A1TSHRCYP2C19 | |
| SCHEMBL10616300 | 0.63 | — | — |
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-2017093543-A2 | ANTI-BACTERIAL COMPOUNDS | AUSPHERIX LIMITED (GB) | 2017-06-08 | — | — | WO | disclosed |