Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PTPN7 | P35236 | 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 | |
|---|---|---|---|---|
| SCHEMBL501135 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL9402312 | 0.96 | ALDH1A1 (0.48) | ALDH1A1ALOX5HPGDHSD17B10TSHR | |
| Ammonia Solution, Strong SCHEMBL28112564 | 0.96 | ALDH1A1 (0.48) | ALDH1A1ALOX5HPGDHSD17B10TSHR | |
| Methane SCHEMBL11616604 | 0.96 | ALDH1A1 (0.48) | ALDH1A1ALOX5HPGDHSD17B10TSHR | |
| Ammonia Solution, Strong SCHEMBL25268388 | 0.87 | ALDH1A1 (0.42) | ALDH1A1ALOX5HPGDHSD17B10TSHR | |
| SCHEMBL6813829 | 0.85 | MAPT (0.42) | ALDH1A1ALOX5HPGDHSD17B10TSHR | |
| Furan SCHEMBL8583529 | 0.85 | HPGD (0.43) | ALDH1A1ALOX5HPGDHSD17B10TSHR | |
| SCHEMBL7087548 | 0.82 | ALDH1A1 (0.52) | ALDH1A1ALOX5HPGDHSD17B10TSHR | |
| SCHEMBL27567831 | 0.82 | TSHR (0.46) | ALDH1A1ALOX5HPGDHSD17B10TSHR | |
| SCHEMBL2680565 | 0.81 | ERCC5 (0.52) | ALDH1A1ALOX5HSD17B10TSHREPHX2 |
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-4872918-A | Heterocyclic esters and smoking compositions containing a heterocyclic ester flavorant-release additive | PHILIP MORRIS INCORPORATED (US) | 1989-10-10 | — | — | US | disclosed |