Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7443269 | 0.83 | CA1 (0.50) | CA1CA2ALDH1A1GAACA12 | |
| SCHEMBL10320491 | 0.80 | CA1 (0.56) | CA1CA2ALDH1A1GAACA12 | |
| SCHEMBL3229459 | 0.78 | CA1 (0.48) | CA1CA2ALDH1A1GAACA12 | |
| SCHEMBL8225493 | 0.78 | CA1 (0.48) | CA1CA2ALDH1A1GAACA12 | |
| SCHEMBL799917 | 0.77 | CA1 (0.58) | CA1CA2ALDH1A1GAACA12 | |
| SCHEMBL179542 | 0.77 | GAA (0.47) | CA1CA2ALDH1A1GAACA12 | |
| SCHEMBL14502703 | 0.77 | CA1 (0.47) | CA1CA2ALDH1A1GAACA12 | |
| SCHEMBL31525792 | 0.77 | CA1 (0.58) | CA1CA2ALDH1A1GAACA12 | |
| SCHEMBL19251044 | 0.75 | ALDH1A1 (0.53) | CA1CA2ALDH1A1GAACA12 | |
| SCHEMBL1506600 | 0.75 | KIF11 (0.49) | CA1CA2ALDH1A1GAACA12 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5936128-A | BENZENETHIOL COMPOUNDS AS INTERMEDIATES; BACTERICIDES, VIRICIDES; HIV | WARNER-LAMBERT COMPANY (US) | 1999-08-10 | — | — | US | claimed |
| US-5808062-A | AIDS THERAPY | WARNER-LAMBERT COMPANY (US) | 1998-09-15 | — | — | US | claimed |
| EP-0729463-A1 | 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE DAVIS & COMPANY (US) | 1996-09-04 | — | — | EP | claimed |
| EP-0729466-A1 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1996-09-04 | — | — | EP | claimed |
| WO-1995014011-A2 | 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1995-05-26 | — | — | WO | claimed |
| WO-1995014014-A2 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1995-05-26 | — | — | WO | claimed |