Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14939907 | 0.93 | SIGMAR1 (0.55) | SIGMAR1ALDH1A1ALDH3A1KDM4EMEN1 | |
| SCHEMBL14939908 | 0.90 | SIGMAR1 (0.51) | SIGMAR1ALDH1A1ALDH3A1KDM4EMEN1 | |
| SCHEMBL14940301 | 0.89 | SIGMAR1 (0.55) | SIGMAR1ALDH1A1ALDH3A1CHRM2CHRM3 | |
| SCHEMBL14939852 | 0.88 | NPSR1 (0.54) | SIGMAR1ALDH1A1ALDH3A1SMN1; SMN2CHRM2 | |
| SCHEMBL14940346 | 0.85 | SIGMAR1 (0.44) | SIGMAR1ALDH1A1DRD2HTR2AHTR2C | |
| SCHEMBL14939591 | 0.85 | SIGMAR1 (0.50) | SIGMAR1ALDH1A1ALDH3A1KDM4EMEN1 | |
| SCHEMBL14940002 | 0.85 | NPSR1 (0.50) | SIGMAR1ALDH1A1ALDH3A1SMN1; SMN2CHRM2 | |
| SCHEMBL14939844 | 0.85 | NPSR1 (0.45) | SIGMAR1ALDH1A1ALDH3A1KDM4EMEN1 | |
| SCHEMBL14939342 | 0.84 | CYP2D6 (0.48) | ALDH1A1MEN1KMT2ACHRM3DRD2 | |
| SCHEMBL14940059 | 0.82 | NPSR1 (0.49) | SIGMAR1ALDH1A1ALDH3A1CHRM2CHRM3 |
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 |