Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | TOP1 | P11387 | 3/20 | 0.39 |
| ▸ | PPARD | Q03181 | 2/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3717005 | 0.88 | CTSS (0.47) | CTSSCTSKTOP1PPARDLTA4H | |
| SCHEMBL3721095 | 0.85 | HSD17B10 (0.49) | CTSSCTSKTOP1PPARDLTA4H | |
| SCHEMBL3717780 | 0.85 | CTSS (0.42) | CTSSCTSKTOP1PPARDPTGS1 | |
| SCHEMBL18018443 | 0.81 | TRPV3 (0.34) | — | |
| SCHEMBL3725421 | 0.81 | DPP4 (0.50) | CTSSCTSKTOP1PPARDLTA4H | |
| Hydrochloric Acid SCHEMBL18047680 | 0.80 | TRPV3 (0.34) | — | |
| SCHEMBL3722022 | 0.80 | LTA4H (0.49) | CTSSCTSKLTA4H | |
| SCHEMBL3721111 | 0.79 | LTA4H (0.48) | CTSSCTSKLTA4H | |
| SCHEMBL18069417 | 0.79 | MEN1 (0.33) | — | |
| SCHEMBL3724728 | 0.79 | KDM4E (0.49) | CTSSCTSKTOP1LTA4HPTGS2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8614201-B2 | Heterocyclic amides as modulators of TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2013-12-24 | — | — | US | claimed |
| WO-2010141805-A1 | HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2010-12-09 | — | — | WO | claimed |
| US-8614201-B2 | Heterocyclic amides as modulators of TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2013-12-24 | — | — | US | disclosed |
| WO-2010141805-A1 | HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2010-12-09 | — | — | WO | disclosed |