Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.35 |
| ▸ | NCK1 | P16333 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19432353 | 0.87 | NQO2 (0.59) | NQO2RAB9AMEN1NPC1KMT2A | |
| SCHEMBL10585917 | 0.82 | NQO2 (0.64) | NQO2RAB9AKDM4EALDH1A1L3MBTL1 | |
| SCHEMBL11421185 | 0.81 | NQO2 (0.53) | NQO2RAB9AMEN1NPC1KMT2A | |
| SCHEMBL31193100 | 0.79 | KDM4E (0.46) | NQO2RAB9AMEN1NPC1KMT2A | |
| SCHEMBL30932232 | 0.77 | NQO2 (0.57) | NQO2RAB9AMEN1NPC1KMT2A | |
| SCHEMBL28286262 | 0.77 | NQO2 (0.57) | NQO2RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL19075884 | 0.77 | NQO2 (0.57) | NQO2RAB9AMEN1NPC1KMT2A | |
| SCHEMBL23280870 | 0.76 | NQO2 (0.47) | NQO2RAB9AMEN1NPC1KMT2A | |
| SCHEMBL19432431 | 0.76 | NQO2 (0.47) | NQO2RAB9AMEN1NPC1KMT2A | |
| SCHEMBL16644141 | 0.74 | NQO2 (0.53) | NQO2RAB9AMEN1NPC1KMT2A |
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-109689647-A | The compound that bicyclic heteroaryl replaces | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | disclosed |