Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 14/20 | 0.44 |
| ▸ | CTSS | P25774 | 9/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6326266 | 0.82 | CA1 (0.50) | CYP2D6CTSKCTSSCA1CA2 | |
| SCHEMBL20207292 | 0.80 | CA1 (0.49) | CYP2D6CTSKCTSSCA1CA2 | |
| SCHEMBL5477507 | 0.80 | CA1 (0.49) | CYP2D6CTSKCTSSCA1CA2 | |
| SCHEMBL21342491 | 0.80 | CA1 (0.49) | CYP2D6CTSKCTSSCA1CA2 | |
| SCHEMBL21342465 | 0.78 | CA1 (0.46) | CYP2D6CTSKCTSSCA1CA2 | |
| SCHEMBL21342494 | 0.78 | CA1 (0.46) | CYP2D6CTSKCTSSCA1CA2 | |
| SCHEMBL25270811 | 0.76 | CA1 (0.51) | CYP2D6CTSKCTSSCA1CA2 | |
| SCHEMBL8972253 | 0.76 | CYP2D6 (0.63) | CYP2D6CTSKCTSSCA1CA2 | |
| SCHEMBL5198000 | 0.76 | CA1 (0.51) | CYP2D6CTSKCTSSCA1CA2 | |
| SCHEMBL3018246 | 0.76 | CA1 (0.51) | CYP2D6CTSKCTSSCA1CA2 |
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-0143746-A2 | 5-Amino 4-hydroxy-valeryl-substituted derivatives | CIBA-GEIGY AG (CH) | 1985-06-05 | — | — | EP | claimed |