Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.74 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.68 |
| ▸ | THRB | P10828 | 3/20 | 0.54 |
| ▸ | THRA | P10827 | 1/20 | 0.54 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8778737 | 1.00 | ALDH1A1 (0.74) | ALDH1A1CYP3A4CYP2C9CYP2C19MCHR1 | |
| SCHEMBL8778706 | 1.00 | ALDH1A1 (0.74) | ALDH1A1CYP3A4CYP2C9CYP2C19MCHR1 | |
| SCHEMBL8667031 | 1.00 | ALDH1A1 (0.74) | ALDH1A1CYP3A4CYP2C9CYP2C19MCHR1 | |
| SCHEMBL8340902 | 1.00 | ALDH1A1 (0.74) | ALDH1A1CYP3A4CYP2C9CYP2C19MCHR1 | |
| SCHEMBL9099947 | 1.00 | ALDH1A1 (0.74) | ALDH1A1CYP3A4CYP2C9CYP2C19MCHR1 | |
| SCHEMBL9103003 | 1.00 | ALDH1A1 (0.74) | ALDH1A1CYP3A4CYP2C9CYP2C19MCHR1 | |
| SCHEMBL9099326 | 1.00 | ALDH1A1 (0.74) | ALDH1A1CYP3A4CYP2C9CYP2C19MCHR1 | |
| SCHEMBL8778795 | 1.00 | ALDH1A1 (0.74) | ALDH1A1CYP3A4CYP2C9CYP2C19MCHR1 | |
| SCHEMBL8778830 | 0.98 | ALDH1A1 (0.77) | ALDH1A1CYP3A4CYP2C9CYP2C19MCHR1 | |
| SCHEMBL3013104 | 0.92 | ALDH1A1 (0.80) | ALDH1A1CYP3A4CYP2C9CYP2C19MCHR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4480021-A | ARYL SULFONE | XEROX CORPORATION (US) | 1984-10-30 | — | — | US | claimed |
| US-5517350-A | Optical component based on Langmuir-Blodgett layers | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-05-14 | — | — | US | disclosed |
| EP-0596325-A1 | Optical element with Langmuir-Blodgett layers | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-05-11 | — | — | EP | disclosed |
| US-4480021-A | ARYL SULFONE | XEROX CORPORATION (US) | 1984-10-30 | — | — | US | disclosed |