Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | KLK1 | P06870 | 2/20 | 0.46 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | F2 | P00734 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | CHIT1 | Q13231 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6934236 | 0.88 | CA1 (0.58) | CA1CA2LTA4HALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL6930363 | 0.87 | CA1 (0.56) | CA1CA2LTA4HALDH1A1POLB | |
| Trifluoroacetic Acid SCHEMBL6932239 | 0.84 | CA1 (0.50) | MLYCDCA1CA2LTA4HPOLB | |
| Trifluoroacetic Acid SCHEMBL29406683 | 0.83 | ALDH1A1 (0.51) | CA1CA2LTA4HALDH1A1POLB | |
| Trifluoroacetic Acid SCHEMBL30725604 | 0.81 | KLK1 (0.51) | KLK1KLK5ALDH1A1F2POLB | |
| Terephthalamide SCHEMBL30182529 | 0.79 | PARP1 (0.56) | CA1CA2ALDH1A1POLBL3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL7728667 | 0.79 | LTA4H (0.57) | MLYCDCA1CA2LTA4HPOLB | |
| SCHEMBL6932233 | 0.78 | CA1 (0.57) | MLYCDCA1CA2LTA4HL3MBTL1 | |
| SCHEMBL1663647 | 0.78 | CA2 (0.58) | CA1CA2LTA4HALDH1A1POLB | |
| SCHEMBL25845706 | 0.76 | CA12 (0.59) | CA1CA2ALDH1A1F2L3MBTL1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0859000-B1 | Isoxazole amide and crotonamid derivatives and drug and diagnostic uses thereof | AVENTIS PHARMA GMBH (DE) | 2003-01-22 | — | — | EP | claimed |
| US-5977151-A | ANTITUMOR | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-11-02 | — | — | US | claimed |
| US-6265588-B1 | USE AS PHARMACEUTICALS; AS AN ANTIGEN FOR PRODUCTION OF ANTIBODIES AND IN DIAGNOSIS AND PURIFICATION | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2001-07-24 | — | — | US | disclosed |
| US-6121479-A | ANTIINFLAMMATORY AND ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES | HOECHST AKTIENGESELLSCHAFT (DE) | 2000-09-19 | — | — | US | disclosed |
| US-5977151-A | ANTITUMOR | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-11-02 | — | — | US | disclosed |