Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.46 |
| ▸ | RARB | P10826 | 1/20 | 0.46 |
| ▸ | RARG | P13631 | 1/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.46 |
| ▸ | RXRB | P28702 | 1/20 | 0.46 |
| ▸ | RXRG | P48443 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL9460300 | 1.00 | ALDH1A1 (0.53) | ALDH1A1KDM4ETDP1HPGDTAS2R14 | |
| SCHEMBL9133934 | 0.93 | ALDH1A1 (0.46) | ALDH1A1KDM4ETDP1HPGDTAS2R14 | |
| SCHEMBL9134552 | 0.93 | ALDH1A1 (0.46) | ALDH1A1KDM4ETDP1HPGDTAS2R14 | |
| SCHEMBL9134559 | 0.90 | ALDH1A1 (0.53) | ALDH1A1KDM4ETDP1HPGDTAS2R14 | |
| SCHEMBL9133941 | 0.90 | ALDH1A1 (0.53) | ALDH1A1KDM4ETDP1HPGDTAS2R14 | |
| Terephthalic Acid SCHEMBL8434829 | 0.90 | ALDH1A1 (0.65) | ALDH1A1KDM4ETDP1TAS2R14TSHR | |
| Terephthalic Acid SCHEMBL8092882 | 0.90 | ALDH1A1 (0.65) | ALDH1A1KDM4ETDP1TAS2R14TSHR | |
| Benzoic Acid SCHEMBL592072 | 0.86 | ALDH1A1 (0.65) | ALDH1A1KDM4ETDP1TAS2R14TSHR | |
| SCHEMBL9460105 | 0.86 | HPGD (0.49) | ALDH1A1HPGDTAS2R14RARBRARG | |
| SCHEMBL9460339 | 0.86 | HPGD (0.49) | ALDH1A1HPGDTAS2R14RARBRARG |
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-5274184-A | Aryl sulphide, aryl sulphoxide and aryl sulphone compounds | CASSELLA AKTIENGESELLSCHAFT (DE) | 1993-12-28 | — | — | US | disclosed |