Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SCD | O00767 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | CCR3 | P51677 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17155352 | 0.85 | GPR119 (0.52) | GPR119KDM1AALDH1A1MEN1KMT2A | |
| SCHEMBL17154904 | 0.83 | KDM1A (0.43) | CDK9GPR119KDM1AHRH1CCR3 | |
| SCHEMBL17154969 | 0.79 | ALDH1A1 (0.45) | CYP2D6CYP2C19KDM4EPOLBALDH1A1 | |
| SCHEMBL17155001 | 0.78 | SLC6A2 (0.47) | CYP2D6CYP2C19KDM4EPOLBALDH1A1 | |
| SCHEMBL17099726 | 0.77 | MAPK1 (0.57) | POLBMEN1KMT2AMAPK1ACHE | |
| SCHEMBL30952856 | 0.75 | ALDH1A1 (0.54) | KDM4EPOLBALDH1A1HTTMEN1 | |
| SCHEMBL17155356 | 0.74 | CHRNB4 (0.48) | CYP2D6CYP2C19POLBALDH1A1CYP2C9 | |
| SCHEMBL70414 | 0.73 | KDM1A (0.53) | KDM4ESCDGPR119KDM1AALDH1A1 | |
| SCHEMBL25307397 | 0.73 | MAPT (0.39) | KDM4ECDK9GPR119ALDH1A1CNR1 | |
| SCHEMBL1654395 | 0.73 | KDM1A (0.50) | GPR119KDM1AALDH1A1MEN1KMT2A |
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-2015150557-A1 | MACROCYLIC PYRIDINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2015-10-08 | — | — | WO | disclosed |