Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 6/20 | 0.45 |
| ▸ | CTSK | P43235 | 6/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.42 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.39 |
| ▸ | GLP1R | P43220 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7974852 | 0.88 | CTSS (0.43) | CTSSCTSKCA1CA2CAPN1 | |
| SCHEMBL19543629 | 0.85 | CTSS (0.53) | CTSSCTSKTDP1CA1CA2 | |
| SCHEMBL7976998 | 0.81 | CTSK (0.49) | CTSSCTSKCA1CA2CAPN1 | |
| SCHEMBL24188500 | 0.80 | CTSS (0.48) | CTSSCTSKCA1CA2CAPN1 | |
| SCHEMBL15984731 | 0.80 | CTSS (0.48) | CTSSCTSKTDP1CA1CA2 | |
| SCHEMBL18738937 | 0.79 | CTSS (0.47) | CTSSCTSKCA1CA2CAPN1 | |
| SCHEMBL21361055 | 0.79 | CA1 (0.49) | CTSSCTSKTDP1CA1CA2 | |
| SCHEMBL7974820 | 0.79 | MEN1 (0.51) | CTSSCTSKTDP1CA1CA2 | |
| SCHEMBL7700364 | 0.79 | MEN1 (0.51) | CTSSCTSKTDP1CA1CA2 | |
| SCHEMBL28969866 | 0.79 | TDP1 (0.57) | CTSSCTSKTDP1CA1CA2 |
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-2001005748-A1 | OLIGOMERIC AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | MONSANTO COMPANY (US) | 2001-01-25 | — | — | WO | disclosed |