Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14939313 | 0.92 | KMT2A (0.43) | NPSR1DRD2DRD4DRD3MEN1 | |
| SCHEMBL14938968 | 0.91 | ALDH1A1 (0.45) | NPSR1MEN1TSHRKMT2AKDM4E | |
| SCHEMBL14939998 | 0.90 | MEN1 (0.45) | NPSR1DRD2MEN1TSHRKMT2A | |
| SCHEMBL14939776 | 0.88 | NPSR1 (0.59) | NPSR1DRD2DRD4DRD3TSHR | |
| SCHEMBL14939130 | 0.85 | NPSR1 (0.47) | NPSR1DRD2DRD4DRD3MEN1 | |
| SCHEMBL14939940 | 0.85 | NPSR1 (0.47) | NPSR1KMT2ATP53LMNAMAPT | |
| SCHEMBL14939571 | 0.84 | NPSR1 (0.49) | NPSR1MEN1KMT2AALDH1A1LMNA | |
| SCHEMBL14939657 | 0.84 | NPSR1 (0.46) | NPSR1DRD2DRD3KMT2ALMNA | |
| SCHEMBL14939086 | 0.82 | SIGMAR1 (0.50) | NPSR1DRD2DRD4DRD3MEN1 | |
| SCHEMBL14939260 | 0.82 | NPSR1 (0.49) | NPSR1DRD2DRD4DRD3MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013068785-A1 | INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-16 | — | — | WO | claimed |
| WO-2013068785-A1 | INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-16 | — | — | WO | disclosed |