Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN5 | P54829 | 4/20 | 0.51 |
| ▸ | KIF11 | P52732 | 3/20 | 0.50 |
| ▸ | AGXT | P21549 | 1/20 | 0.49 |
| ▸ | CASR | P41180 | 3/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.43 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.43 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.43 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.43 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.43 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | PDE2A | O00408 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL893766 | 0.98 | PTPN5 (0.50) | PTPN5KIF11AGXTCASRHDAC4 | |
| SCHEMBL18878437 | 0.86 | PTPN5 (0.66) | PTPN5KIF11AGXTCASRHDAC4 | |
| SCHEMBL2274622 | 0.83 | PTPN5 (0.69) | PTPN5KIF11AGXTCASRHDAC4 | |
| SCHEMBL27962428 | 0.83 | PTPN5 (0.51) | PTPN5KIF11AGXTCASRHDAC4 | |
| SCHEMBL2274626 | 0.83 | PTPN5 (0.69) | PTPN5KIF11AGXTCASRHDAC4 | |
| SCHEMBL2274629 | 0.83 | PTPN5 (0.69) | PTPN5KIF11AGXTCASRHDAC4 | |
| SCHEMBL30913861 | 0.82 | PDE2A (0.60) | PTPN5KIF11CASRPSEN1PSEN2 | |
| SCHEMBL40102 | 0.80 | HTR2A (0.58) | HTR2AHTR2CHTR2BPDE2A | |
| SCHEMBL1728826 | 0.80 | HTR2A (0.58) | HTR2AHTR2CHTR2BPDE2A | |
| SCHEMBL334964 | 0.80 | HTR2A (0.58) | HTR2AHTR2CHTR2BPDE2A |
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 |