Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.54 |
| ▸ | CA2 | P00918 | 3/20 | 0.54 |
| ▸ | KRAS | P01116 | 1/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 9/20 | 0.52 |
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.51 |
| ▸ | IDH1 | O75874 | 1/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.51 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.51 |
| ▸ | DPP4 | P27487 | 1/20 | 0.51 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.51 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.51 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7182704 | 1.00 | CA1 (0.54) | CA1CA2KRASPTPN1ABCG2 | |
| SCHEMBL7184800 | 0.90 | PTPN1 (0.64) | PTPN1ABCG2IDH1ABCB1UGT1A1 | |
| SCHEMBL7184806 | 0.90 | PTPN1 (0.64) | PTPN1ABCG2IDH1ABCB1UGT1A1 | |
| SCHEMBL7191169 | 0.89 | CA1 (0.58) | CA1CA2KRASPTPN1ABCG2 | |
| SCHEMBL7191166 | 0.89 | CA1 (0.58) | CA1CA2KRASPTPN1ABCG2 | |
| SCHEMBL7190991 | 0.87 | PTPN1 (0.50) | CA1CA2KRASPTPN1ABCG2 | |
| SCHEMBL7190989 | 0.87 | PTPN1 (0.50) | CA1CA2KRASPTPN1ABCG2 | |
| SCHEMBL7191420 | 0.87 | PTPN1 (0.44) | CA1CA2KRASPTPN1ABCG2 | |
| SCHEMBL7191419 | 0.87 | PTPN1 (0.44) | CA1CA2KRASPTPN1ABCG2 | |
| SCHEMBL7189483 | 0.84 | PTPN1 (0.53) | KRASPTPN1ABCG2IDH1ABCB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6603046-B1 | The invention is drawn to novel bis-aromatic a, beta -unsaturated ketones. The compounds are useful in the treatment and prophylaxis of diseases caused by parasites or bacteria. | LICA PHARMACEUTICALS A/S (DK) | 2003-08-05 | — | — | US | disclosed |
| EP-0634927-B1 | TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA | LICA PHARMACEUTICALS AS (DK) | 2001-07-04 | — | — | EP | disclosed |
| US-5985935-A | PARASITICIDES OR BACTERICIDES | STATENS SERUMINSTITUT (DK) | 1999-11-16 | — | — | US | disclosed |
| EP-0634927-A1 | TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA | STATENS SERUMINSTITUT (DK) | 1995-01-25 | — | — | EP | disclosed |
| WO-1993017671-A1 | TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA | STATENS SERUMINSTITUT (DK) | 1993-09-16 | — | — | WO | disclosed |