Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 2/20 | 0.41 |
| ▸ | CASP3 | P42574 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 3/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | ACE | P12821 | 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 | |
|---|---|---|---|---|
| SCHEMBL7352942 | 1.00 | CA1 (0.44) | CA1CA7CA2CA4CA9 | |
| SCHEMBL7352957 | 1.00 | CA1 (0.44) | CA1CA7CA2CA4CA9 | |
| SCHEMBL7358261 | 0.80 | CASP3 (0.52) | CA1CA7MMP13CASP3MAPT | |
| SCHEMBL7358274 | 0.80 | CASP3 (0.52) | CA1CA7MMP13CASP3MAPT | |
| SCHEMBL7358268 | 0.80 | CASP3 (0.52) | CA1CA7MMP13CASP3MAPT | |
| SCHEMBL7214816 | 0.79 | CASP3 (0.51) | CA1CA7MMP13CASP3MAPT | |
| SCHEMBL18782008 | 0.78 | CTSK (0.47) | MMP13CASP3CTSLCTSKALDH1A1 | |
| SCHEMBL8127874 | 0.78 | CTSB (0.62) | CTSLCTSKCTSS | |
| SCHEMBL7413346 | 0.75 | ABCB1 (0.47) | CA1CA7CA2CA4CA9 | |
| SCHEMBL19015928 | 0.74 | ABCB1 (0.40) | CA1CA7CA2CA9CASP3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995023222-A1 | IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS | KHEPRI PHARMACEUTICALS, INC. (US) | 1995-08-31 | — | — | WO | claimed |
| 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 |