Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL14939097 | 0.89 | NPSR1 (0.64) | NPSR1LMNAKDM4EALDH1A1OPRL1 | |
| SCHEMBL14938982 | 0.88 | NPSR1 (0.64) | NPSR1LMNATRPV6CHRM2CHRM3 | |
| SCHEMBL14939433 | 0.82 | NPSR1 (0.59) | NPSR1LMNAKDM4EALDH1A1MAPT | |
| SCHEMBL14939690 | 0.82 | NPSR1 (0.77) | NPSR1LMNATRPV6CHRM2CHRM3 | |
| SCHEMBL14939022 | 0.82 | NPSR1 (0.59) | NPSR1LMNACHRM2CHRM3KDM4E | |
| SCHEMBL14939318 | 0.80 | NPSR1 (0.60) | NPSR1TRPV6CHRM2CHRM3KDM4E | |
| SCHEMBL14939850 | 0.80 | NPSR1 (0.60) | NPSR1LMNATRPV6CHRM2CHRM3 | |
| SCHEMBL14939951 | 0.79 | NPSR1 (0.54) | NPSR1LMNAKDM4EALDH1A1MAPT | |
| SCHEMBL14938946 | 0.78 | NPSR1 (0.54) | NPSR1LMNAALDH1A1 | |
| SCHEMBL14938941 | 0.78 | NPSR1 (0.54) | NPSR1LMNAALDH1A1 |
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 |