Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1B | P35368 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MPI | P34949 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | IGF1R | P08069 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL4910280 | 0.85 | ADRA1B (0.63) | ADRA1BCYP2D6ALDH1A1SIGMAR1ADRA1A | |
| SCHEMBL7057953 | 0.84 | ALDH1A1 (0.47) | ADRA1BCYP2D6ALDH1A1KDM4ELMNA | |
| SCHEMBL7055589 | 0.81 | HTR1A (0.52) | ADRA1BCYP2D6ALDH1A1KMT2ADRD2 | |
| SCHEMBL7056520 | 0.80 | DRD2 (0.66) | ADRA1BCYP2D6ALDH1A1KDM4EKMT2A | |
| SCHEMBL7058033 | 0.80 | DRD3 (0.55) | ADRA1BCYP2D6ALDH1A1LMNASIGMAR1 | |
| SCHEMBL7057971 | 0.79 | DRD2 (0.45) | ADRA1BALDH1A1KDM4EKMT2ADRD2 | |
| SCHEMBL946834 | 0.79 | SIGMAR1 (0.59) | CYP2D6ALDH1A1TSHRKDM4ESIGMAR1 | |
| SCHEMBL14852242 | 0.79 | MAPT (0.51) | CYP2D6ALDH1A1TSHRKDM4ELMNA | |
| Hydrochloric Acid SCHEMBL3196048 | 0.78 | SIGMAR1 (0.58) | CYP2D6ALDH1A1TSHRKDM4ESIGMAR1 | |
| SCHEMBL7055571 | 0.77 | DRD2 (0.66) | ADRA1BTSHRDRD2ADRA1ADRD3 |
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-2003028728-A1 | 4-(4-SUBSTITUTED PIPERAZINYL-1YL)-BUTYLCARBOXAMIDES AS D3 DOPAMINE SUBTYPE SELECTIVE LIGANDS | Richter Gedeon Vegyészeti Gyár Rt. (HU) | 2003-04-10 | — | — | WO | disclosed |