Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.54 |
| ▸ | CYSLTR1 | Q9Y271 | 4/20 | 0.50 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3253637 | 0.89 | CYSLTR1 (0.55) | ALDH1A1CYSLTR1CYSLTR2GPBAR1CYP1A2 | |
| Hydrochloric Acid SCHEMBL27514003 | 0.88 | CYSLTR1 (0.53) | ALDH1A1CYSLTR1CYSLTR2GPBAR1CYP1A2 | |
| SCHEMBL29035750 | 0.88 | CYSLTR1 (0.53) | ALDH1A1CYSLTR1CYSLTR2GPBAR1CYP1A2 | |
| SCHEMBL22762116 | 0.86 | ALDH1A1 (0.45) | ALDH1A1PDE10ACYP3A4 | |
| Hydrochloric Acid SCHEMBL28157005 | 0.86 | CYSLTR1 (0.51) | ALDH1A1CYSLTR1CYSLTR2GPBAR1CYP1A2 | |
| Diphenylmethane SCHEMBL28309004 | 0.86 | ALDH1A1 (0.71) | ALDH1A1PDE10ACYP3A4CYP2D6SLC6A2 | |
| SCHEMBL21539921 | 0.85 | PDE10A (0.60) | ALDH1A1PDE10ACYSLTR1CYSLTR2CYP3A4 | |
| Biphenyl SCHEMBL29204423 | 0.84 | CYSLTR1 (0.50) | ALDH1A1CYSLTR1CYSLTR2GPBAR1CYP1A2 | |
| Biphenyl SCHEMBL29204420 | 0.83 | CYSLTR1 (0.49) | ALDH1A1CYSLTR1CYSLTR2GPBAR1CYP1A2 | |
| SCHEMBL28236523 | 0.83 | CYSLTR1 (0.49) | ALDH1A1CYSLTR1CYSLTR2GPBAR1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107118154-A | A kind of molecule-based magnetic compound, crystal and its production and use | 南京晓庄学院 | 2017-09-01 | — | — | CN | claimed |