Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.46 |
| ▸ | DRD2 | P14416 | 3/20 | 0.46 |
| ▸ | HTR2A | P28223 | 3/20 | 0.46 |
| ▸ | HTR2C | P28335 | 3/20 | 0.46 |
| ▸ | HTR2B | P41595 | 3/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CCR2 | P41597 | 1/20 | 0.41 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL14939625 | 0.92 | NPSR1 (0.64) | NPSR1SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL14939175 | 0.92 | NPSR1 (0.64) | NPSR1SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL14940373 | 0.92 | NPSR1 (0.64) | NPSR1SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL14940132 | 0.88 | NPSR1 (0.51) | NPSR1SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL14939037 | 0.87 | NPSR1 (0.58) | NPSR1SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL14939177 | 0.84 | NPSR1 (0.54) | NPSR1SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL14939931 | 0.83 | KMT2A (0.48) | NPSR1SIGMAR1OPRL1TSHRKDM4E | |
| SCHEMBL14938983 | 0.82 | NPSR1 (0.55) | NPSR1SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL14939777 | 0.81 | NPSR1 (0.54) | NPSR1SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL14939466 | 0.81 | NPSR1 (0.54) | NPSR1SIGMAR1DRD2HTR2AHTR2C |
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-2013068785-A1 | INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-16 | — | — | WO | disclosed |