Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 3/20 | 0.35 |
| ▸ | MPO | P05164 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14939712 | 0.92 | BCHE (0.36) | ALDH1A1HTR6MPOBCHEACHE | |
| SCHEMBL14940045 | 0.88 | HTR6 (0.38) | ALDH1A1HTR6MPONPSR1KDM4E | |
| SCHEMBL14939545 | 0.87 | ALDH1A1 (0.36) | ALDH1A1HTR6BCHEACHENPSR1 | |
| SCHEMBL14940059 | 0.87 | NPSR1 (0.49) | ALDH1A1NPSR1SIGMAR1DRD2HTR2A | |
| SCHEMBL14939513 | 0.84 | ALDH1A1 (0.36) | ALDH1A1HTR6MPOKDM4EDRD2 | |
| SCHEMBL14939706 | 0.83 | DRD4 (0.44) | ALDH1A1KDM4ESMN1; SMN2SIGMAR1DRD2 | |
| SCHEMBL14939342 | 0.82 | CYP2D6 (0.48) | ALDH1A1HTR6MEN1KMT2ADRD2 | |
| SCHEMBL14938855 | 0.82 | ALDH1A1 (0.38) | ALDH1A1HTR6MPONPSR1KDM4E | |
| SCHEMBL14940190 | 0.82 | ALDH1A1 (0.37) | ALDH1A1HTR6MPONPSR1KDM4E | |
| SCHEMBL14938926 | 0.82 | NPSR1 (0.38) | ALDH1A1HTR6MPONPSR1SMN1; SMN2 |
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 |