Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | HBB | P68871 | 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 | |
|---|---|---|---|---|
| SCHEMBL14939629 | 0.91 | KMT2A (0.45) | KDM4ETDP1KMT2AALDH1A1GAA | |
| SCHEMBL14939941 | 0.91 | KMT2A (0.47) | KDM4ETDP1L3MBTL1KMT2AALDH1A1 | |
| SCHEMBL14939079 | 0.89 | ALDH1A1 (0.49) | KDM4ETDP1L3MBTL1KMT2AALDH1A1 | |
| SCHEMBL14940048 | 0.89 | ALDH1A1 (0.44) | KDM4ETDP1L3MBTL1KMT2AALDH1A1 | |
| SCHEMBL14938859 | 0.88 | ALDH1A1 (0.41) | KDM4ETDP1L3MBTL1KMT2AALDH1A1 | |
| SCHEMBL14939483 | 0.88 | ALDH1A1 (0.45) | KDM4ETDP1L3MBTL1KMT2AALDH1A1 | |
| SCHEMBL14939578 | 0.86 | KMT2A (0.44) | KDM4ETDP1KMT2AALDH1A1GAA | |
| SCHEMBL14939536 | 0.85 | KMT2A (0.41) | KDM4ETDP1KMT2AALDH1A1GAA | |
| SCHEMBL14939177 | 0.84 | NPSR1 (0.54) | DRD2HTR2AHTR2CHTR2BSIGMAR1 | |
| SCHEMBL14939089 | 0.84 | KMT2A (0.42) | KDM4ETDP1KMT2AALDH1A1GAA |
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 |