Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | PRCP | P42785 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.34 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.33 |
| ▸ | EP300 | Q09472 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7359462 | 0.80 | IDO1 (0.42) | IDO1HRH3KCNH2OPRM1AKR1C3 | |
| SCHEMBL7393950 | 0.77 | SLC18A3 (0.34) | IDO1HRH3KCNH2OPRM1SLC18A3 | |
| SCHEMBL24663869 | 0.73 | IDO1 (0.51) | IDO1HRH3KCNH2OPRM1AKR1C3 | |
| SCHEMBL7873347 | 0.71 | CA2 (0.40) | — | |
| SCHEMBL7876539 | 0.70 | SMN1; SMN2 (0.46) | KDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL7873355 | 0.69 | ALOX5 (0.40) | — | |
| SCHEMBL22549670 | 0.68 | AKR1C3 (0.49) | IDO1HRH3KCNH2AKR1C3AKR1C1 | |
| SCHEMBL4290877 | 0.68 | GRIK1 (0.43) | — | |
| SCHEMBL7956778 | 0.68 | HTR2A (0.46) | — | |
| SCHEMBL7956781 | 0.68 | HTR2A (0.46) | — |
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-6329400-B1 | INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS | GLAXO WELLCOME INC. | 2001-12-11 | — | — | US | disclosed |