Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR9 | P51686 | 4/20 | 0.48 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.47 |
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.46 |
| ▸ | FNTA | P49354 | 1/20 | 0.44 |
| ▸ | FNTB | P49356 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CCR2 | P41597 | 2/20 | 0.42 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL27990378 | 0.75 | CCR9 (0.49) | CCR9GPR35PTGDR2CYP2C9AKR1B1 | |
| SCHEMBL11466061 | 0.75 | PTGDR2 (0.66) | PTGDR2CYP2C9AKR1B1CXCR3 | |
| SCHEMBL12569581 | 0.71 | KDM4E (0.50) | CCR9GPR35PTGDR2AKR1B1 | |
| SCHEMBL21027254 | 0.69 | PTGDR2 (0.57) | PTGDR2CYP2C9AKR1B1AKR1B10 | |
| SCHEMBL27165736 | 0.68 | FNTA (0.54) | FNTAFNTB | |
| SCHEMBL27165735 | 0.68 | FNTA (0.42) | CYP2C9CXCR3FNTAFNTBNPC1 | |
| SCHEMBL14564431 | 0.67 | KDM4E (0.49) | PTGDR2CYP2C9AKR1B1 | |
| SCHEMBL6170479 | 0.67 | HDAC3 (0.52) | CYP2C9CCR2 | |
| SCHEMBL6171634 | 0.67 | CCR2 (0.48) | PTGDR2CCR2PTGS2 | |
| SCHEMBL6172195 | 0.67 | HDAC3 (0.53) | CCR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1045833-B1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER (US) | 2005-11-02 | — | — | EP | claimed |