Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.66 |
| ▸ | APP | P05067 | 3/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | AKR1C3 | P42330 | 11/20 | 0.51 |
| ▸ | AKR1C2 | P52895 | 11/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.51 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.51 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.51 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.51 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.51 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.51 |
| ▸ | FABP2 | P12104 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.51 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1678645 | 0.90 | CYP2C19 (0.61) | CYP2C19APPCYP2C9CYP3A4AKR1C3 | |
| SCHEMBL1679245 | 0.82 | CYP2C19 (0.61) | CYP2C19APPCYP2C9CYP3A4AKR1C3 | |
| SCHEMBL1679163 | 0.81 | APP (0.68) | CYP2C19APPCYP2C9CYP3A4AKR1C3 | |
| SCHEMBL1679126 | 0.81 | CYP2C19 (0.68) | CYP2C19APPCYP2C9CYP3A4AKR1C3 | |
| 4'-Hydroxyflurbiprofen SCHEMBL7040151 | 0.81 | APP (0.97) | CYP2C19APPCYP2C9CYP3A4AKR1C3 | |
| 4'-Hydroxyflurbiprofen SCHEMBL6450842 | 0.81 | APP (0.97) | CYP2C19APPCYP2C9CYP3A4AKR1C3 | |
| SCHEMBL1679355 | 0.79 | CYP2C19 (0.66) | CYP2C19APPCYP2C9CYP3A4AKR1C3 | |
| SCHEMBL1679378 | 0.79 | CYP2C19 (0.66) | CYP2C19APPCYP2C9CYP3A4AKR1C3 | |
| SCHEMBL2778899 | 0.79 | APP (1.00) | CYP2C19APPCYP2C9CYP3A4AKR1C3 | |
| SCHEMBL1679393 | 0.78 | CYP2C19 (0.64) | CYP2C19APPCYP2C9CYP3A4AKR1C3 |
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 |
|---|---|---|---|---|---|---|---|
| US-7923573-B2 | Benzene compound having 2 or more substituents | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-04-12 | — | — | US | disclosed |