Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.43 |
| ▸ | ATM | Q13315 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14939041 | 0.89 | HTR7 (0.40) | ALDH1A1PARP1CXCR3 | |
| SCHEMBL14939665 | 0.88 | ACHE (0.44) | ALDH1A1KMT2AGAAACHEPARP1 | |
| SCHEMBL14940366 | 0.88 | ACHE (0.44) | ALDH1A1KMT2AGAAACHEPARP1 | |
| SCHEMBL14939163 | 0.88 | ACHE (0.44) | ALDH1A1KMT2AGAAACHEPARP1 | |
| SCHEMBL14938989 | 0.85 | HTR7 (0.37) | ALDH1A1CXCR3 | |
| SCHEMBL14938853 | 0.85 | CXCR4 (0.48) | ALDH1A1KMT2AMEN1BCHEACHE | |
| SCHEMBL14940471 | 0.84 | CXCR3 (0.48) | NPSR1ACHECXCR3 | |
| SCHEMBL14939161 | 0.84 | ALDH1A1 (0.39) | ALDH1A1TDP1CXCR3 | |
| SCHEMBL14939344 | 0.80 | CHRM2 (0.52) | ALDH1A1KDM4EACHECXCR3 | |
| SCHEMBL14939140 | 0.79 | CXCR3 (0.53) | ACHECXCR3 |
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 |