Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 2/20 | 0.44 |
| ▸ | CTSS | P25774 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 2/20 | 0.43 |
| ▸ | IL1RN | P18510 | 1/20 | 0.42 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | FNTA | P49354 | 1/20 | 0.40 |
| ▸ | FNTB | P49356 | 1/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 2/20 | 0.39 |
| ▸ | REN | P00797 | 2/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9865799 | 0.88 | MGLL (0.51) | MGLLFNTAFNTBENPP2ALDH1A1 | |
| SCHEMBL9866632 | 0.85 | ITGB3 (0.42) | CTSKCTSSTACR1 | |
| Iodide SCHEMBL9866617 | 0.85 | ITGB3 (0.41) | CTSKCTSSTACR1 | |
| SCHEMBL9337361 | 0.84 | CTSS (0.44) | CTSKCTSSTACR1 | |
| SCHEMBL9335862 | 0.84 | CTSS (0.45) | CTSKCTSSTACR1FNTACYP3A4 | |
| SCHEMBL9867660 | 0.83 | CTSS (0.49) | CTSKCTSSCTSB | |
| SCHEMBL9337444 | 0.83 | CTSS (0.44) | CTSKCTSSRENKLK5 | |
| Iodide SCHEMBL9866746 | 0.83 | CTSS (0.44) | CTSKCTSSRENKLK5 | |
| SCHEMBL9865501 | 0.83 | CTSS (0.44) | CTSKCTSSRENKLK5 | |
| SCHEMBL9867667 | 0.83 | CTSS (0.49) | CTSKCTSSCTSB |
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-5039805-A | Novel benzoic and phenylacetic acid derivatives | HOFFMANN-LA ROCHE INC. (US) | 1991-08-13 | — | — | US | disclosed |