Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | HPGD | P15428 | 6/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | CDC25B | P30305 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.42 |
| ▸ | CA4 | P22748 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6696812 | 0.78 | KDM4E (0.48) | KEAP1ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL1342156 | 0.78 | ALDH1A1 (0.50) | KEAP1ALDH1A1HPGDTSHRHSD17B10 | |
| Hydrochloric Acid SCHEMBL3159285 | 0.77 | ALDH1A1 (0.49) | KEAP1ALDH1A1HPGDTSHRHSD17B10 | |
| Hydrochloric Acid SCHEMBL27946264 | 0.77 | ALDH1A1 (0.49) | KEAP1ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL4652710 | 0.76 | TSHR (0.48) | KEAP1ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL20715566 | 0.76 | ALDH1A1 (0.44) | KEAP1ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL49308 | 0.74 | KEAP1 (0.61) | KEAP1ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL1755252 | 0.74 | KEAP1 (0.43) | KEAP1ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL4632499 | 0.74 | ALDH1A1 (0.47) | KEAP1ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL4632503 | 0.74 | ALDH1A1 (0.47) | KEAP1ALDH1A1HPGDTSHRHSD17B10 |
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-1569919-B1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2012-04-18 | — | — | EP | disclosed |
| US-7642277-B2 | Non-nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-01-05 | — | — | US | disclosed |