Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.50 |
| ▸ | MEN1 | O00255 | 6/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | LCK | P06239 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL22065290 | 0.85 | MEN1 (0.61) | SMN1; SMN2ALDH1A1KMT2AMEN1RAB9A | |
| SCHEMBL22066357 | 0.85 | HDAC8 (0.58) | KMT2AMEN1RAB9AMAPTNPC1 | |
| SCHEMBL22065403 | 0.84 | ALDH1A1 (0.56) | SMN1; SMN2ALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL22065294 | 0.84 | KCNK3 (0.58) | MAOBSMN1; SMN2ALDH1A1KMT2AMEN1 | |
| SCHEMBL22065295 | 0.84 | KCNK3 (0.58) | MAOBSMN1; SMN2KMT2AMEN1RAB9A | |
| SCHEMBL22065405 | 0.82 | RXFP1 (0.67) | SMN1; SMN2ALDH1A1KMT2AMEN1RAB9A | |
| SCHEMBL22065302 | 0.81 | KIT (0.71) | KMT2AMEN1RAB9AMAPTKDM4E | |
| SCHEMBL19157152 | 0.79 | RAB9A (0.63) | MAOBSMN1; SMN2ALDH1A1L3MBTL1KMT2A | |
| SCHEMBL22065298 | 0.78 | NPC1 (0.61) | ALDH1A1RAB9AMAPTNPC1LCK | |
| SCHEMBL3670066 | 0.78 | SMN1; SMN2 (0.72) | MAOBSMN1; SMN2ALDH1A1L3MBTL1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3663293-A1 | SUBSTITUTED PENTA- AND HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF | Xiamen University (CN) | 2020-06-10 | — | — | EP | disclosed |