Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR1 | P30556 | 1/20 | 0.43 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.38 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | SYK | P43405 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3723261 | 0.81 | PTGS1 (0.48) | AGTR1KCNH3KDM4ESYKMAPT | |
| SCHEMBL3722029 | 0.80 | L3MBTL1 (0.44) | AGTR1KDM4ESYKACHEMAPT | |
| SCHEMBL3727320 | 0.79 | SCN9A (0.43) | AGTR1PYCR1KDM4EALDH1A1LMNA | |
| SCHEMBL3723229 | 0.78 | ADORA1 (0.48) | KDM4EADORA2AADORA1ALDH1A1HPGD | |
| SCHEMBL3727142 | 0.75 | AGTR1 (0.43) | AGTR1KDM4EMAPTALDH1A1LMNA | |
| SCHEMBL3723029 | 0.74 | KDM4E (0.53) | KDM4EALDH1A1LMNAGAACCNE1 | |
| SCHEMBL3720119 | 0.73 | ACP1 (0.44) | AGTR1KDM4ESYKPIK3CGPIK3CA | |
| SCHEMBL3720866 | 0.73 | KDM4E (0.46) | AGTR1KDM4EMAPTALDH1A1LMNA | |
| SCHEMBL3720305 | 0.72 | PIK3CA (0.43) | AGTR1PIK3CGPIK3CAMGAMGAA | |
| SCHEMBL3717784 | 0.72 | ACP1 (0.47) | ACHEALDH1A1LMNA |
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 |