Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | CCR1 | P32246 | 2/20 | 0.45 |
| ▸ | CCR5 | P51681 | 2/20 | 0.45 |
| ▸ | CCR8 | P51685 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | METAP1 | P53582 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.45 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL27903321 | 0.83 | CA2 (0.39) | CYP1A2CYP2C9CYP2C19KDM4ELMNA | |
| SCHEMBL30462045 | 0.79 | KDM4E (0.50) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL28302086 | 0.79 | ADRB2 (0.57) | CYP2A6POLBNPC1RAB9ASLC6A7 | |
| SCHEMBL6840443 | 0.79 | CYP1A2 (0.59) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL533591 | 0.79 | KDM4E (0.50) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL31211649 | 0.79 | CYP1A2 (0.59) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL30989133 | 0.78 | KDM4E (0.72) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL30989132 | 0.78 | KDM4E (0.72) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL1566968 | 0.78 | KDM4E (0.72) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| Methane SCHEMBL28852240 | 0.78 | CYP1A2 (0.49) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106632002-A | Preparation technology of etoricoxib and reference substance 5-chloro-3-(4-(methyl sulphonyl)phenyl)-2,3-bipyridine of etoricoxib | 贵州大学 | 2017-05-10 | — | — | CN | claimed |
| CN-106632002-A | Preparation technology of etoricoxib and reference substance 5-chloro-3-(4-(methyl sulphonyl)phenyl)-2,3-bipyridine of etoricoxib | 贵州大学 | 2017-05-10 | — | — | CN | disclosed |