Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.41 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | PHGDH | O43175 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14939710 | 0.90 | NPSR1 (0.46) | TP53NPSR1ALDH1A1MEN1KMT2A | |
| SCHEMBL14939398 | 0.89 | NPSR1 (0.46) | TP53NPSR1ALDH1A1RAB9AMEN1 | |
| SCHEMBL14939558 | 0.87 | NPSR1 (0.62) | NPSR1ALDH1A1SIGMAR1RAB9AMEN1 | |
| SCHEMBL14939831 | 0.86 | NPSR1 (0.51) | TP53NPSR1ALDH1A1OPRM1SIGMAR1 | |
| SCHEMBL14939762 | 0.86 | ALDH1A1 (0.45) | NPSR1ALDH1A1MEN1KMT2ACXCR4 | |
| SCHEMBL14939059 | 0.84 | NPSR1 (0.51) | TP53NPSR1ALDH1A1OPRM1SIGMAR1 | |
| SCHEMBL14939355 | 0.83 | NPSR1 (0.48) | NPSR1ALDH1A1OPRM1SIGMAR1RAB9A | |
| SCHEMBL14939107 | 0.83 | NPSR1 (0.57) | TP53NPSR1ALDH1A1OPRM1SIGMAR1 | |
| SCHEMBL14939659 | 0.83 | NPSR1 (0.42) | TP53NPSR1ALDH1A1OPRM1RAB9A | |
| SCHEMBL14939071 | 0.83 | NPSR1 (0.56) | TP53NPSR1ALDH1A1OPRM1SIGMAR1 |
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 |