Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | AOC2 | O75106 | 2/20 | 0.42 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11550242 | 0.82 | MAPK8 (0.54) | ALDH1A1GAAKDM4E | |
| SCHEMBL8569167 | 0.82 | GABRA1 (0.41) | GAAGABRA1GABRB2CYP1A2CYP2C9 | |
| SCHEMBL28444067 | 0.82 | HDAC6 (0.55) | CYP1A2CYP2D6KDM4EHDAC3HDAC4 | |
| Hydrochloric Acid SCHEMBL28247981 | 0.81 | MAPK8 (0.52) | ALDH1A1GAAKDM4E | |
| SCHEMBL27536085 | 0.80 | FDPS (0.44) | ALDH1A1GAAMAPTCYP1A2CYP3A4 | |
| SCHEMBL5738109 | 0.80 | AKR1B1 (0.61) | MAPTCYP1A2CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL18294035 | 0.79 | MAPT (0.44) | ALDH1A1GAAMAPTCYP1A2CYP3A4 | |
| SCHEMBL18294029 | 0.79 | TSHR (0.59) | ALDH1A1GAAMAPTL3MBTL1CYP2C19 | |
| SCHEMBL24018805 | 0.79 | MAPT (0.53) | ALDH1A1GAAMAPTGABRA1GABRB2 | |
| SCHEMBL2828642 | 0.78 | KCNJ5 (0.56) | ALDH1A1MAPTCYP3A4CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104884438-B | It is used as the substituted pyrazoles of N-type calcium channel blocker | 詹森药业有限公司 | 2017-07-28 | — | — | CN | disclosed |
| CN-104884438-A | Substituted pyrazoles as n-type calcium channel blockers | JANSSEN PHARMACEUTICA NV | 2015-09-02 | — | — | CN | disclosed |
| EP-2885278-A1 | SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS | Janssen Pharmaceutica N.V. (BE) | 2015-06-24 | — | — | EP | disclosed |
| WO-2014028800-A1 | SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS | JANSSEN PHARMACEUTICA NV (BE) | 2014-02-20 | — | — | WO | disclosed |