Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 2/20 | 0.34 |
| ▸ | CASP7 | P55210 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HBB | P68871 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL261676 | 0.80 | ABCG2 (0.62) | ABCG2ALDH1A1HSD17B10TSHRMAPK1 | |
| SCHEMBL30019213 | 0.80 | ABCG2 (0.62) | ABCG2ALDH1A1HSD17B10TSHRMAPK1 | |
| SCHEMBL7464999 | 0.70 | ABCG2 (0.55) | ABCG2ALDH1A1HSD17B10TSHRMAPK1 | |
| SCHEMBL527160 | 0.69 | ABCG2 (0.46) | ABCG2ALDH1A1HPGDHIF1AHSD17B10 | |
| SCHEMBL725971 | 0.67 | ABCG2 (0.51) | ABCG2 | |
| SCHEMBL1899423 | 0.67 | ABCG2 (0.68) | ABCG2ALDH1A1TSHR | |
| SCHEMBL1820361 | 0.67 | ABCG2 (0.68) | ABCG2ALDH1A1TSHR | |
| SCHEMBL17321745 | 0.67 | GSK3B (0.40) | ALDH1A1TP53HPGDCASP1CASP7 | |
| SCHEMBL3507966 | 0.66 | ABCG2 (0.66) | ABCG2 | |
| Hydrochloric Acid SCHEMBL4458466 | 0.66 | ABCG2 (0.66) | ABCG2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6376629-B2 | ORGANOMETALLIC COMPOUND | EQUISTAR CHEMICALS, LP | 2002-04-23 | — | — | US | disclosed |
| US-20010007848-A1 | Single-site catalysts for olefin polymerization | EQUISTAR CHEMICALS, L.P. | 2001-07-12 | — | — | US | disclosed |
| US-6232260-B1 | ORGANOMETALLIC COMPLEX COMPRISES A GROUP 3 TO 10 TRANSITION OR LANTHANIDE METAL, M, AND AT LEAST ONE INDENOINDOLYL LIGAND THAT IS .PI.-BONDED TO M. | EQUISTAR CHEMICALS, L.P. | 2001-05-15 | — | — | US | disclosed |
| WO-2001027125-A1 | SINGLE-SITE CATALYSTS FOR OLEFIN POLYMERIZATION | EQUISTAR CHEMICALS, L.P. (US) | 2001-04-19 | — | — | WO | disclosed |