Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3721020 | 0.90 | CYP1A2 (0.43) | CYP1A2CYP2C19CYP2C9SMN1; SMN2CYP2D6 | |
| SCHEMBL3727042 | 0.89 | DRD2 (0.47) | CYP1A2CYP2C19CYP2C9SMN1; SMN2ALDH1A1 | |
| SCHEMBL3718590 | 0.89 | ALDH1A1 (0.52) | CYP1A2CYP2C19CYP2C9SMN1; SMN2CYP2D6 | |
| SCHEMBL3721161 | 0.87 | MAPT (0.44) | CYP1A2CYP2C19CYP2C9SMN1; SMN2ALDH1A1 | |
| SCHEMBL3724812 | 0.87 | ALDH1A1 (0.42) | CYP1A2CYP2C19CYP2C9SMN1; SMN2CYP2D6 | |
| SCHEMBL3721047 | 0.84 | SMN1; SMN2 (0.45) | CYP1A2CYP2C19CYP2C9SMN1; SMN2ALDH1A1 | |
| SCHEMBL3727231 | 0.84 | ALDH1A1 (0.42) | CYP1A2CYP2C19CYP2C9SMN1; SMN2ALDH1A1 | |
| SCHEMBL3724664 | 0.83 | HRH4 (0.57) | CYP1A2CYP2C19SMN1; SMN2CYP2D6ALDH1A1 | |
| SCHEMBL3724712 | 0.83 | LMNA (0.42) | CYP1A2CYP2C19CYP2C9SMN1; SMN2ALDH1A1 | |
| SCHEMBL3717916 | 0.83 | LMNA (0.42) | CYP1A2CYP2C19CYP2C9SMN1; SMN2ALDH1A1 |
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 |