Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 5/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | CTSK | P43235 | 3/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | CTSH | P09668 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSC | P53634 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 2/20 | 0.43 |
| ▸ | MMP13 | P45452 | 2/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7358261 | 1.00 | CASP3 (0.52) | CASP3ABCB1CTSKCTSBCTSH | |
| SCHEMBL7358274 | 1.00 | CASP3 (0.52) | CASP3ABCB1CTSKCTSBCTSH | |
| SCHEMBL19015816 | 0.94 | CASP3 (0.51) | CASP3ABCB1CTSKCTSBCTSH | |
| SCHEMBL19015814 | 0.91 | CASP3 (0.48) | CASP3ABCB1CTSKCTSBCTSH | |
| SCHEMBL7214816 | 0.90 | CASP3 (0.51) | CASP3ABCB1CTSKCTSBCTSH | |
| SCHEMBL18782008 | 0.89 | CTSK (0.47) | CASP3ABCB1CTSKCTSBCTSH | |
| SCHEMBL19015933 | 0.84 | ABCB1 (0.44) | CASP3ABCB1CTSKCTSBCTSS | |
| SCHEMBL7887501 | 0.84 | ABCB1 (0.44) | CASP3ABCB1CTSKCTSBCTSS | |
| SCHEMBL8127874 | 0.84 | CTSB (0.62) | CTSKCTSBCTSHCTSSCTSC | |
| SCHEMBL19015928 | 0.82 | ABCB1 (0.40) | CASP3ABCB1CTSKCTSBCTSH |
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 8 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 |
| EP-0756625-A4 | IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS | ARRIS PHARM CORP (US) | 1999-07-28 | — | — | EP | disclosed |
| US-5776718-A | Reversible protease inhibitors | ARRIS PHARMACEUTICAL CORPORATION (US) | 1998-07-07 | — | — | US | disclosed |
| EP-0817778-A1 | REVERSIBLE PROTEASE INHIBITORS | ARRIS PHARMACEUTICAL CORPORATION (US) | 1998-01-14 | — | — | EP | disclosed |
| EP-0756625-A1 | IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS | ARRIS PHARMACEUTICAL CORPORATION (US) | 1997-02-05 | — | — | EP | disclosed |
| WO-1996030353-A1 | REVERSIBLE PROTEASE INHIBITORS | ARRIS PHARMACEUTICAL CORPORATION (US) | 1996-10-03 | — | — | WO | 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 |