Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.30 |
| ▸ | ELANE | P08246 | 1/20 | 0.30 |
| ▸ | CTSG | P08311 | 1/20 | 0.30 |
| ▸ | CTSS | P25774 | 1/20 | 0.30 |
| ▸ | CTSC | P53634 | 1/20 | 0.30 |
| ▸ | F10 | P00742 | 2/20 | 0.30 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.30 |
| ▸ | F9 | P00740 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6964478 | 0.89 | — | — | |
| Trifluoroacetic Acid SCHEMBL6969858 | 0.84 | CYP1A2 (0.31) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL6979873 | 0.84 | MEN1 (0.37) | F2PRSS1 | |
| Trifluoroacetic Acid SCHEMBL6982053 | 0.82 | HTR5A (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL6981240 | 0.80 | ALDH1A1 (0.41) | CYP2C19 | |
| SCHEMBL6973299 | 0.78 | MAPT (0.35) | MAPTCTSC | |
| SCHEMBL6973304 | 0.78 | MAPT (0.35) | MAPTCTSC | |
| Trifluoroacetic Acid SCHEMBL9082735 | 0.77 | EPHX1 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL6978462 | 0.77 | MEN1 (0.39) | MAPT | |
| SCHEMBL6965143 | 0.75 | SLC1A3 (0.36) | MAPTCTSC |
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 |
|---|---|---|---|---|---|---|---|
| EP-0821674-B1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 2003-08-06 | — | — | EP | claimed |