Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | POLQ | O75417 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13496176 | 0.85 | CYP4F2 (0.45) | CYP2D6CYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL706704 | 0.81 | CTBP2 (0.46) | CYP2D6KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL1668464 | 0.80 | ALDH1A1 (0.45) | KDM4EPOLQMEN1KMT2A | |
| SCHEMBL13032640 | 0.80 | TAAR1 (0.43) | CYP2D6OPRK1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL1515893 | 0.80 | SIGMAR1 (0.47) | SIGMAR1ACHEBCHE | |
| SCHEMBL6176970 | 0.78 | TDP1 (0.56) | CYP2D6KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL361027 | 0.75 | ALOX5 (0.53) | KDM4ESMN1; SMN2TSHRHDAC4HDAC6 | |
| SCHEMBL5842246 | 0.75 | CFD (0.48) | KDM4ESMN1; SMN2TSHRKMT2A | |
| SCHEMBL28230661 | 0.74 | HDAC4 (0.39) | CYP2D6KDM4ECYP2C19TSHRHDAC4 | |
| Hydrochloric Acid SCHEMBL5842244 | 0.74 | CFD (0.47) | KDM4ESMN1; SMN2TSHRKMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101652066-B | Hydroxymethyl ether hydroisoindoline tachykinin receptor antagonists | 默沙东公司 | 2016-08-17 | — | — | CN | disclosed |