Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 3/20 | 0.39 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.39 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | FABP4 | P15090 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29256316 | 0.75 | CYP1A2 (0.41) | HSP90AA1GRIA1CACNG8ALDH1A1LMNA | |
| SCHEMBL733034 | 0.74 | TSHR (0.43) | MAPTTP53MEN1KMT2A | |
| SCHEMBL8124368 | 0.73 | RHEB (0.40) | HSP90AA1GRIA1CACNG8MAPTHPGD | |
| SCHEMBL730296 | 0.72 | ERN1 (0.38) | HSP90AA1MAPK1KDM4EMAPTALDH1A1 | |
| SCHEMBL1205334 | 0.71 | KMT2A (0.38) | MAPK1KDM4EMAPTHPGDALDH1A1 | |
| SCHEMBL733057 | 0.71 | CA1 (0.44) | MAPK1KDM4EMAPTHPGDALDH1A1 | |
| SCHEMBL499678 | 0.71 | CA12 (0.35) | HSP90AA1MAPK1KDM4EMAPTALDH1A1 | |
| SCHEMBL19802451 | 0.71 | HSP90AA1 (0.46) | HSP90AA1HSP90AB1ARGRIA1CACNG8 | |
| SCHEMBL2282004 | 0.70 | GAA (0.35) | HSP90AA1MAPK1KDM4EMAPTALDH1A1 | |
| SCHEMBL4228781 | 0.69 | APP (0.53) | HSP90AA1HSP90AB1ARKDM4EMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103261167-B | 6 of replacement, 6-condenses nitrogen-containing heterocycle compound and uses thereof | HOFFMAN-LA ROCHE LTD. (CH) | 2016-05-04 | — | — | CN | disclosed |