Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HMGB1 | P09429 | 2/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.43 |
| ▸ | GGT1 | P19440 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4688506 | 0.80 | ELANE (0.34) | ALDH1A1ALOX15KDM4ETSHRSMN1; SMN2 | |
| SCHEMBL8536435 | 0.79 | ALDH1A1 (0.56) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 | |
| SCHEMBL30140856 | 0.79 | ALDH1A1 (0.56) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 | |
| SCHEMBL106081 | 0.79 | ALDH1A1 (0.56) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 | |
| SCHEMBL31266384 | 0.79 | ALDH1A1 (0.46) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 | |
| SCHEMBL28282852 | 0.78 | ALDH1A1 (0.45) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL9411948 | 0.78 | ALDH1A1 (0.54) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 | |
| SCHEMBL1898783 | 0.75 | CYP3A4 (0.36) | ALDH1A1KDM4EHSD17B10TSHRCA1 | |
| SCHEMBL30485898 | 0.74 | ALDH1A1 (0.50) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 | |
| SCHEMBL9173949 | 0.74 | ALDH1A1 (0.50) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4458027-A | REACTION PRODUCT OF SILYL ESTER, ORGANOMAGNESIUM AND TRANITION METAL COMPOUND | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1984-07-03 | — | — | US | disclosed |