Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.82 |
| ▸ | MAPT | P10636 | 3/20 | 0.82 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.82 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.82 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.82 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.82 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.82 |
| ▸ | GLA | P06280 | 1/20 | 0.82 |
| ▸ | TSHR | P16473 | 1/20 | 0.82 |
| ▸ | EDNRA | P25101 | 1/20 | 0.82 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.82 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.82 |
| ▸ | PPARG | P37231 | 10/20 | 0.64 |
| ▸ | RXRA | P19793 | 4/20 | 0.60 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.57 |
| ▸ | EGFR | P00533 | 1/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.57 |
| ▸ | DRD1 | P21728 | 1/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.57 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL7789746 | 1.00 | CYP1A2 (0.82) | CYP1A2MAPTMAPK1TDP1CYP3A4 | |
| SCHEMBL7789742 | 1.00 | CYP1A2 (0.82) | CYP1A2MAPTMAPK1TDP1CYP3A4 | |
| SCHEMBL20158513 | 0.90 | CYP1A2 (0.83) | CYP1A2MAPTMAPK1TDP1CYP3A4 | |
| Exisulind SCHEMBL7634637 | 0.90 | CYP1A2 (0.83) | CYP1A2MAPTMAPK1TDP1CYP3A4 | |
| Exisulind SCHEMBL4776597 | 0.90 | CYP1A2 (1.00) | CYP1A2MAPTMAPK1TDP1CYP3A4 | |
| Exisulind SCHEMBL25371 | 0.90 | CYP1A2 (1.00) | CYP1A2MAPTMAPK1TDP1CYP3A4 | |
| Exisulind SCHEMBL29395528 | 0.90 | CYP1A2 (1.00) | CYP1A2MAPTMAPK1TDP1CYP3A4 | |
| Exisulind SCHEMBL7634632 | 0.90 | CYP1A2 (0.83) | CYP1A2MAPTMAPK1TDP1CYP3A4 | |
| Exisulind SCHEMBL7631837 | 0.90 | CYP1A2 (0.83) | CYP1A2MAPTMAPK1TDP1CYP3A4 | |
| Exisulind SCHEMBL7631841 | 0.90 | CYP1A2 (0.83) | CYP1A2MAPTMAPK1TDP1CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1161943-A2 | Methods for identifying compounds for inhibition of neoplastic lesions, and pharmaceutical compositions containing such compounds | Cell Pathways, Inc. (US) | 2001-12-12 | — | — | EP | disclosed |
| US-20010012858-A1 | Method for treating a patient with neoplasia by treatment with a platinum coordination complex | OSI PHARMACEUTICALS, INC. | 2001-08-09 | — | — | US | disclosed |