Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14939466 | 0.96 | NPSR1 (0.54) | NPSR1CHRM2CHRM3ALDH1A1KDM4E | |
| SCHEMBL14939416 | 0.95 | NPSR1 (0.45) | NPSR1CHRM2CHRM3ALDH1A1KDM4E | |
| SCHEMBL14939036 | 0.93 | NPSR1 (0.47) | NPSR1ALDH1A1KDM4EHTTMAPT | |
| SCHEMBL14939908 | 0.91 | SIGMAR1 (0.51) | NPSR1CHRM2CHRM3ALDH1A1KDM4E | |
| SCHEMBL14939643 | 0.90 | ALDH1A1 (0.43) | NPSR1CHRM2CHRM3ALDH1A1KDM4E | |
| SCHEMBL14939534 | 0.88 | ALDH1A1 (0.49) | NPSR1ALDH1A1KDM4EHTTMAPT | |
| SCHEMBL14939091 | 0.87 | KMT2A (0.42) | NPSR1ALDH1A1KDM4EHTTACHE | |
| SCHEMBL14939559 | 0.87 | KMT2A (0.42) | NPSR1ALDH1A1KDM4EHTTACHE | |
| SCHEMBL14939089 | 0.87 | KMT2A (0.42) | NPSR1ALDH1A1KDM4EHTTACHE | |
| SCHEMBL14939007 | 0.87 | NPSR1 (0.53) | NPSR1ALDH1A1KDM4EHTTMAPT |
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 |