Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.51 |
| ▸ | DPP4 | P27487 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | TOP1 | P11387 | 2/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | BCR | P11274 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | TRPV3 | Q8NET8 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3725421 | 0.94 | DPP4 (0.50) | KIF11DPP4ADORA3CTSSCTSK | |
| SCHEMBL893929 | 0.85 | S1PR1 (0.51) | DPP4CTSSCTSKS1PR1TOP1 | |
| SCHEMBL17694989 | 0.84 | KIF11 (0.68) | KIF11ADORA3S1PR1S1PR3TOP1 | |
| SCHEMBL3718641 | 0.83 | DPP4 (0.47) | DPP4ADORA3CTSSCTSKLTA4H | |
| SCHEMBL3724728 | 0.82 | KDM4E (0.49) | KIF11DPP4ADORA3CTSSCTSK | |
| SCHEMBL3717919 | 0.82 | CTSS (0.47) | KIF11DPP4ADORA3CTSSCTSK | |
| SCHEMBL3555771 | 0.81 | KIF11 (0.58) | KIF11ADORA3S1PR1S1PR3TOP1 | |
| SCHEMBL3727413 | 0.81 | CTSS (0.49) | KIF11DPP4ADORA3CTSSCTSK | |
| SCHEMBL3724702 | 0.78 | CTSS (0.47) | KIF11DPP4ADORA3CTSSCTSK | |
| SCHEMBL3721149 | 0.78 | USP1 (0.45) | DPP4CTSSCTSKTOP1 |
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 |