Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 11/20 | 0.43 |
| ▸ | CASP3 | P42574 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7351268 | 1.00 | CYP2D6 (0.47) | CYP2D6CTSKCASP3CA2CA1 | |
| SCHEMBL7400999 | 1.00 | CYP2D6 (0.47) | CYP2D6CTSKCASP3CA2CA1 | |
| SCHEMBL7351260 | 1.00 | CYP2D6 (0.47) | CYP2D6CTSKCASP3CA2CA1 | |
| SCHEMBL7888162 | 0.93 | CTSK (0.43) | CYP2D6CTSKCASP3CA2CA1 | |
| SCHEMBL7878023 | 0.91 | CYP2D6 (0.44) | CYP2D6CTSKCASP3CA2CA1 | |
| SCHEMBL9961171 | 0.89 | CYP1A2 (0.44) | CTSKCASP3 | |
| SCHEMBL9961216 | 0.87 | CYP2D6 (0.46) | CYP2D6CTSKCA2CA1CA7 | |
| SCHEMBL19015897 | 0.86 | CYP2D6 (0.48) | CYP2D6CTSKCA2CA1CA7 | |
| SCHEMBL7880496 | 0.86 | CYP2D6 (0.48) | CYP2D6CTSKCA2CA1CA7 | |
| SCHEMBL15459291 | 0.86 | CTSK (0.45) | CYP2D6CTSK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6287840-B1 | PEPTIDOMIMETICS; COUPLING, DEBLOCKING; ANTIARTHRITIC, ANTITUMOR, ANTICARCINOGENIC, AND ANTIMETASTASIS AGENTS; MUSCULAR DYSTROPHY, GLOMERULONEPHRITIS, MALARIA, ALZHEIMER*S DISEASE | AXYS PHARMACEUTICALS, INC. | 2001-09-11 | — | — | US | disclosed |
| US-5976858-A | (S)-(E)-3-(4-MORPHOLINE-CARBONYLLEUCYL)AMINO-5-PHENYL-1-PHENYL SULFONYL-1-PENTENE AND OTHERS; ANTIARTHRITIS/ANTITUMOR/ ANTIINFLAMMATORY/ANTIMETASTASIS AGENTS; TREATMENT OF MUSCULAR DYSTROPHY, MALARIA, ALZHEIMER'S AND AUTOIMMUNE DISEASES | ARRIS PHARMACEUTICALS (US) | 1999-11-02 | — | — | US | disclosed |
| WO-1995023222-A1 | IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS | KHEPRI PHARMACEUTICALS, INC. (US) | 1995-08-31 | — | — | WO | disclosed |