Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 4/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.37 |
| ▸ | BRD4 | O60885 | 4/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10683086 | 0.77 | POLB (0.46) | PTGS2KMT2APTGS1LMNAGAA | |
| SCHEMBL14951518 | 0.71 | MAPT (0.44) | NR1H2NR1H3PTGS2PDE4BCYP1A2 | |
| SCHEMBL794276 | 0.66 | PTGS2 (0.69) | NR1H2NR1H3PTGS2PDE4BBRD4 | |
| SCHEMBL7261355 | 0.65 | CFTR (0.50) | PTGS2PDE4BCYP1A2KMT2APTGS1 | |
| SCHEMBL29644690 | 0.64 | PTGS2 (0.67) | NR1H2NR1H3PTGS2PDE4BBRD4 | |
| SCHEMBL7421554 | 0.63 | CES1 (0.47) | LMNAMAPT | |
| SCHEMBL21092095 | 0.63 | GAA (0.60) | PTGS2PDE4BKMT2APTGS1GAA | |
| SCHEMBL10777090 | 0.63 | ALDH1A1 (0.68) | PTGS2PDE4BCYP1A2CYP3A4KMT2A | |
| SCHEMBL9281448 | 0.63 | PTGS2 (0.47) | PTGS2PDE4BKMT2APTGS1LMNA | |
| SCHEMBL29248774 | 0.61 | PTGS2 (0.48) | NR1H2NR1H3PTGS2PDE4BKMT2A |
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-4723031-A | Processes for synthesizing substituted and unsubstituted aminoacetate esters | CHEVRON RESEARCH COMPANY (US) | 1988-02-02 | — | — | US | disclosed |
| US-4643762-A | Herbicidal 5-amino-3-oxo-4-(3-substituted-phenyl)-4-pyrroline and derivatives thereof | CHEVRON RESEARCH COMPANY (US) | 1987-02-17 | — | — | US | disclosed |