Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | PHGDH | O43175 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL14939710 | 0.89 | NPSR1 (0.46) | ALDH1A1MAPTMEN1KMT2ANPSR1 | |
| SCHEMBL14939437 | 0.88 | ALDH1A1 (0.48) | ALDH1A1HTTKDM4EBCHEMEN1 | |
| SCHEMBL14939398 | 0.88 | NPSR1 (0.46) | ALDH1A1KDM4EMEN1KMT2ANPSR1 | |
| SCHEMBL14938717 | 0.86 | PHGDH (0.52) | ALDH1A1HTTKDM4EMEN1KMT2A | |
| SCHEMBL14940228 | 0.86 | TP53 (0.47) | ALDH1A1HTTKDM4ECXCR4MEN1 | |
| SCHEMBL14939659 | 0.85 | NPSR1 (0.42) | ALDH1A1HTTKDM4EMAPTMEN1 | |
| SCHEMBL14939733 | 0.85 | NPSR1 (0.47) | ALDH1A1HTTKDM4EMAPTBCHE | |
| SCHEMBL14939609 | 0.84 | NPSR1 (0.52) | ALDH1A1HTTMAPTCXCR4MEN1 | |
| SCHEMBL14939558 | 0.83 | NPSR1 (0.62) | ALDH1A1HTTMAPTMEN1KMT2A | |
| SCHEMBL14939655 | 0.82 | SIGMAR1 (0.52) | ALDH1A1KDM4EMAPTMEN1KMT2A |
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 |