Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | USP47 | Q96K76 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.40 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11667729 | 0.81 | PDE7A (0.51) | HPGDALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL74692 | 0.80 | CYP1A2 (0.62) | CYP2C19HPGDCYP1A2ALDH1A1MEN1 | |
| SCHEMBL10938090 | 0.79 | PDE7A (0.54) | CYP2C19CYP2C9HPGDCYP1A2ALDH1A1 | |
| SCHEMBL10952772 | 0.79 | ALDH1A1 (0.63) | HPGDALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL28223983 | 0.78 | CYP1A2 (0.60) | CYP2C19HPGDCYP1A2ALDH1A1MEN1 | |
| SCHEMBL28157714 | 0.78 | CYP1A2 (0.60) | CYP2C19HPGDCYP1A2ALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL2530464 | 0.78 | CYP1A2 (0.60) | CYP2C19HPGDCYP1A2ALDH1A1MEN1 | |
| SCHEMBL27861233 | 0.78 | CYP1A2 (0.60) | CYP2C19HPGDCYP1A2ALDH1A1MEN1 | |
| SCHEMBL14572090 | 0.77 | CYP1A2 (0.49) | CYP2C19CYP2C9HPGDCYP1A2ALDH1A1 | |
| Oxalic Acid SCHEMBL9180724 | 0.77 | CYP1A2 (0.58) | CYP2C19HPGDCYP1A2ALDH1A1MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4511729-A | Nucleophilic substitution process | ETHYL CORPORATION (US) | 1985-04-16 | — | — | US | claimed |
| US-4502998-A | Nucleophilic substitution process | ETHYL CORPORATION (US) | 1985-03-05 | — | — | US | claimed |