Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 12/20 | 0.57 |
| ▸ | HPGD | P15428 | 10/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 10/20 | 0.57 |
| ▸ | GLA | P06280 | 10/20 | 0.57 |
| ▸ | GAA | P10253 | 10/20 | 0.57 |
| ▸ | CASP1 | P29466 | 8/20 | 0.57 |
| ▸ | CASP7 | P55210 | 8/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.50 |
| ▸ | ALDH1A2 | O94788 | 2/20 | 0.49 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.49 |
| ▸ | ALDH1B1 | P30837 | 2/20 | 0.49 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.49 |
| ▸ | ERAP1 | Q9NZ08 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8374891 | 0.78 | HSD17B3 (0.61) | MCL1ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL10794383 | 0.78 | HSD17B3 (0.61) | ALDH1A1KDM4EHPGDHSD17B10GLA | |
| SCHEMBL3761517 | 0.78 | HSD17B3 (0.78) | ALDH1A1KDM4EHPGDHSD17B10GLA | |
| SCHEMBL29725796 | 0.78 | HSD17B3 (0.78) | ALDH1A1KDM4EHPGDHSD17B10GLA | |
| SCHEMBL26767060 | 0.75 | NPSR1 (0.63) | MCL1ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL20275960 | 0.74 | ALDH1A2 (0.58) | MCL1ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL8359237 | 0.74 | MCL1 (1.00) | MCL1ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL6478947 | 0.74 | KDM4E (0.61) | MCL1ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL7797770 | 0.74 | KDM4E (0.74) | MCL1ALDH1A1KDM4EHPGDGLA | |
| SCHEMBL4711029 | 0.73 | ALDH1A1 (1.00) | MCL1ALDH1A1KDM4EHPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-4235781-A | 6 Or 8 Haloallyl substituted 7-hydroxycoumarins | THOMAS C. ELDER, INC. (US) | 1980-11-25 | — | — | US | disclosed |
| US-4216154-A | CLAISEN REARRANGEMENT OF A 7-HALOALLYL ETHER OF A HYDROXYCOUMARIN | THOMAS C. ELDER, INC. (US) | 1980-08-05 | — | — | US | disclosed |