Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 12/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | KRAS | P01116 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 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 | |
|---|---|---|---|---|
| SCHEMBL7180126 | 1.00 | PTPN1 (0.49) | PTPN1CA1CA2KRASCTSL | |
| SCHEMBL7177716 | 0.92 | PTPN1 (0.43) | PTPN1CA1CA2KRASCTSL | |
| SCHEMBL7177722 | 0.92 | PTPN1 (0.43) | PTPN1CA1CA2KRASCTSL | |
| SCHEMBL7186228 | 0.91 | PTPN1 (0.53) | PTPN1MAOBKDM4EABCG2CYP1A1 | |
| SCHEMBL7186224 | 0.91 | PTPN1 (0.53) | PTPN1MAOBKDM4EABCG2CYP1A1 | |
| SCHEMBL7183517 | 0.89 | CA1 (0.42) | PTPN1CA1CA2KRASCTSL | |
| SCHEMBL7183516 | 0.89 | CA1 (0.42) | PTPN1CA1CA2KRASCTSL | |
| SCHEMBL9273763 | 0.89 | PTPN1 (0.41) | PTPN1CA1CA2KRASCTSL | |
| SCHEMBL9273768 | 0.89 | PTPN1 (0.41) | PTPN1CA1CA2KRASCTSL | |
| SCHEMBL7191263 | 0.89 | CA1 (0.52) | PTPN1CA1CA2KRASCTSL |
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 3 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 |