Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | HKDC1 | Q2TB90 | 2/20 | 0.53 |
| ▸ | APAF1 | O14727 | 1/20 | 0.53 |
| ▸ | HK1 | P19367 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | KDM6B | O15054 | 1/20 | 0.45 |
| ▸ | KDM4A | O75164 | 1/20 | 0.45 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.45 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | BLM | P54132 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | CASP1 | P29466 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22698855 | 0.86 | SMN1; SMN2 (0.46) | KMT2ARAB9AHKDC1APAF1HK1 | |
| SCHEMBL19072941 | 0.74 | HDAC2 (0.52) | KMT2ARAB9AHKDC1KDM4EMAPT | |
| SCHEMBL22698983 | 0.74 | CYP3A4 (0.39) | KMT2ARAB9AHKDC1APAF1HK1 | |
| SCHEMBL22699032 | 0.73 | HDAC2 (0.48) | KMT2ARAB9AHKDC1APAF1HK1 | |
| SCHEMBL22699098 | 0.72 | CYP3A4 (0.35) | KMT2ARAB9AHKDC1APAF1HK1 | |
| SCHEMBL22699011 | 0.69 | CA1 (0.53) | KMT2ARAB9AKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL29350676 | 0.69 | MAOA (1.00) | KMT2ARAB9AAPAF1MAOAMAOB | |
| SCHEMBL421291 | 0.69 | MAOA (1.00) | KMT2ARAB9AAPAF1MAOAMAOB | |
| SCHEMBL16489591 | 0.68 | KDM4C (0.60) | KMT2AKDM4EKDM6BKDM4AKDM4D | |
| SCHEMBL16489564 | 0.68 | KDM4C (0.56) | KMT2AKDM4EKDM6BKDM4AKDM4D |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020232807-A1 | NAPHTHOQUINONE FUSED TRIAZOLE DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF | 广州中医药大学(广州中医药研究院) (CN) | 2020-11-26 | — | — | WO | disclosed |