Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.30 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2463070 | 0.80 | CES1 (0.32) | ERN1 | |
| SCHEMBL169402 | 0.79 | ALDH1A1 (0.44) | ALDH1A1TDP1TSHRMEN1KMT2A | |
| SCHEMBL14992792 | 0.77 | ALDH1A1 (0.37) | ERN1ALDH1A1AHRKMT2A | |
| SCHEMBL21724409 | 0.76 | TSHR (0.38) | ERN1TSHRCYP3A4 | |
| SCHEMBL3415192 | 0.76 | ERN1 (0.32) | ERN1ALDH1A1TDP1 | |
| SCHEMBL21495096 | 0.74 | TP53 (0.47) | ALDH1A1TDP1TSHRHSD17B10CYP3A4 | |
| SCHEMBL1961187 | 0.74 | TP53 (0.47) | ALDH1A1TDP1TSHRHSD17B10CYP3A4 | |
| SCHEMBL3417262 | 0.72 | KMT2A (0.37) | ERN1ALDH1A1TDP1TSHRHSD17B10 | |
| SCHEMBL2311541 | 0.70 | TDP1 (0.41) | ERN1ALDH1A1TDP1TSHRHSD17B10 | |
| SCHEMBL10351320 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2056817-A1 | BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM | Bayer HealthCare AG (DE) | 2009-05-13 | — | — | EP | disclosed |
| WO-2008025509-A1 | BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-03-06 | — | — | WO | disclosed |
| EP-1487813-A1 | BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS | Bayer Pharmaceuticals Corporation (US) | 2004-12-22 | — | — | EP | disclosed |
| WO-2003072561-A1 | BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-09-04 | — | — | WO | disclosed |