Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR1 | P30556 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3720866 | 0.95 | KDM4E (0.46) | AGTR1PTGS2PTGS1KDM4EMAPT | |
| SCHEMBL3727129 | 0.83 | KDM4E (0.48) | PTGS2PTGS1KDM4EMAPTALDH1A1 | |
| SCHEMBL3719672 | 0.79 | KDM4E (0.55) | PTGS2PTGS1KDM4EMAPTALDH1A1 | |
| SCHEMBL3727139 | 0.76 | GRM2 (0.42) | AGTR1PTGS2PTGS1KDM4EALDH1A1 | |
| SCHEMBL3722029 | 0.76 | L3MBTL1 (0.44) | AGTR1KDM4EMAPTALDH1A1LMNA | |
| SCHEMBL3727322 | 0.75 | AGTR1 (0.43) | AGTR1KDM4EMAPTALDH1A1LMNA | |
| SCHEMBL3723261 | 0.74 | PTGS1 (0.48) | AGTR1PTGS2PTGS1KDM4EMAPT | |
| SCHEMBL3720863 | 0.72 | PTGS2 (0.47) | AGTR1PTGS2PTGS1KDM4EMAPT | |
| SCHEMBL3717784 | 0.70 | ACP1 (0.47) | ALDH1A1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3723029 | 0.70 | KDM4E (0.53) | KDM4EALDH1A1LMNACYP1A2CYP3A4 |
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 |