Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 3/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL3721778 | 0.91 | SMN1; SMN2 (0.46) | SMN1; SMN2ALDH1A1LMNANPC1DRD4 | |
| SCHEMBL3727042 | 0.91 | DRD2 (0.47) | SMN1; SMN2ALDH1A1LMNANPC1DRD4 | |
| SCHEMBL3718590 | 0.91 | ALDH1A1 (0.52) | SMN1; SMN2ALDH1A1LMNANPC1HRH4 | |
| SCHEMBL3722201 | 0.89 | ALDH1A1 (0.46) | SMN1; SMN2ALDH1A1LMNANPC1HRH4 | |
| SCHEMBL3721161 | 0.86 | MAPT (0.44) | SMN1; SMN2ALDH1A1LMNANPC1DRD4 | |
| SCHEMBL3721099 | 0.86 | SMN1; SMN2 (0.44) | SMN1; SMN2ALDH1A1LMNANPC1DRD4 | |
| SCHEMBL3717916 | 0.84 | LMNA (0.42) | SMN1; SMN2ALDH1A1LMNANPC1DRD4 | |
| SCHEMBL3724712 | 0.84 | LMNA (0.42) | SMN1; SMN2ALDH1A1LMNANPC1DRD4 | |
| SCHEMBL3726353 | 0.84 | ALDH1A1 (0.44) | SMN1; SMN2ALDH1A1LMNANPC1DRD4 | |
| SCHEMBL3721032 | 0.84 | CYP1A2 (0.44) | SMN1; SMN2ALDH1A1LMNANPC1DRD4 |
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 |