Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.38 |
| ▸ | CCND1 | P24385 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24449037 | 0.79 | IKBKE (0.48) | KDM4ELMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16688149 | 0.76 | CYP1A2 (0.41) | IMPDH2KDM4ELMNACYP1A2CYP3A4 | |
| SCHEMBL445595 | 0.75 | IMPDH2 (0.58) | IMPDH2KDM4ELMNACYP1A2CYP3A4 | |
| SCHEMBL8274131 | 0.74 | DRD1 (0.45) | IMPDH2KDM4ELMNACYP1A2CYP3A4 | |
| Bromide SCHEMBL27922950 | 0.73 | IMPDH2 (0.56) | IMPDH2KDM4ELMNACYP1A2CYP3A4 | |
| SCHEMBL16319037 | 0.73 | MAOA (0.57) | KDM4ELMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2313911 | 0.72 | IMPDH2 (0.50) | IMPDH2KDM4ELMNACYP1A2CYP3A4 | |
| SCHEMBL12279132 | 0.71 | MAOA (0.55) | KDM4ELMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8276162 | 0.71 | MAOA (0.43) | KDM4ELMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8563087 | 0.70 | ALDH1A1 (0.50) | KDM4ECYP1A2CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006000085-A1 | HEPATITIS C INHIBITOR PEPTIDE ANALOGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-01-05 | — | — | WO | disclosed |