Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | AHR | P35869 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | NT5E | P21589 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4204801 | 0.85 | PDE2A (0.36) | ALDH1A1MAPK1AHRGSK3BTSHR | |
| Hydrochloric Acid SCHEMBL8577339 | 0.82 | PDE2A (0.35) | ALDH1A1MAPK1AHRGSK3BTSHR | |
| Hydrochloric Acid SCHEMBL8577343 | 0.82 | PDE2A (0.35) | ALDH1A1MAPK1AHRGSK3BTSHR | |
| SCHEMBL7756833 | 0.77 | TSHR (0.50) | CA1CA2CA5ACA9CYP2A6 | |
| SCHEMBL21791779 | 0.77 | CA1 (0.50) | CA1CA2CA5ACA9CYP2A6 | |
| SCHEMBL1508480 | 0.77 | ALDH1A1 (0.50) | ALDH1A1AHRGSK3BTSHRCES2 | |
| SCHEMBL4460794 | 0.77 | CYP2A6 (0.50) | CA1CA2CA5ACA9CYP2A6 | |
| SCHEMBL11240836 | 0.77 | PDE2A (0.32) | ALDH1A1MAPK1TSHR | |
| SCHEMBL8909 | 0.77 | TRPV1 (0.50) | CA1CA2CA5ACA9CYP2A6 | |
| SCHEMBL3675742 | 0.77 | CA1 (0.50) | CA1CA2CA5ACA9CYP2A6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4990657-A | From an aromatic halide without a phase transfer agent | RHONE-POULENC CHIMIE (FR) | 1991-02-05 | — | — | US | disclosed |
| EP-0255794-A1 | Process for preparing an aromatic acid | RHONE-POULENC CHIMIE (FR) | 1988-02-10 | — | — | EP | disclosed |
| EP-0109606-B1 | PROCESS FOR THE FORMYLATION OF ARYL HALIDES | BAYER AG (DE) | 1986-01-22 | — | — | EP | disclosed |
| US-4536344-A | USING A PHOSPINE OR PHOSPHITE | BAYER AKTIENGESELLSCHAFT (DE) | 1985-08-20 | — | — | US | disclosed |
| EP-0109606-A1 | Process for the formylation of aryl halides | BAYER AG (DE) | 1984-05-30 | — | — | EP | disclosed |