Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CTSS | P25774 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.45 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.44 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.44 |
| ▸ | TRPV3 | Q8NET8 | 5/20 | 0.42 |
| ▸ | AGER | Q15109 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3727129 | 0.95 | KDM4E (0.48) | KDM4EPTGS2PTGS1ALDH1A1LMNA | |
| SCHEMBL3720866 | 0.84 | KDM4E (0.46) | KDM4EPTGS2PTGS1ALDH1A1LMNA | |
| SCHEMBL3724702 | 0.81 | CTSS (0.47) | ALDH1A1MAPTCTSSCTSKTRPV3 | |
| SCHEMBL3719667 | 0.79 | PTGS2 (0.54) | KDM4EPTGS2PTGS1ALDH1A1LMNA | |
| SCHEMBL3727142 | 0.79 | AGTR1 (0.43) | KDM4EPTGS2PTGS1ALDH1A1LMNA | |
| SCHEMBL3724708 | 0.79 | PFKFB3 (0.41) | KDM4EHDAC8 | |
| SCHEMBL29703181 | 0.78 | PTGS2 (0.60) | KDM4EPTGS2PTGS1ALDH1A1LMNA | |
| SCHEMBL3725421 | 0.76 | DPP4 (0.50) | KDM4EALDH1A1CTSSCTSKTRPV3 | |
| SCHEMBL3720232 | 0.74 | VCP (0.45) | KDM4EPTGS2PTGS1ALDH1A1HPGD | |
| SCHEMBL3727421 | 0.74 | CTSS (0.41) | MAPTCTSSCTSKTRPV3 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |