Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.41 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.41 |
| ▸ | APLNR | P35414 | 2/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | CPN1 | P15169 | 2/20 | 0.33 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.33 |
| ▸ | GLI1 | P08151 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 2/20 | 0.30 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31369429 | 0.83 | SLC6A1 (0.47) | KDM4EMAPTKMT2AATMCYP2D6 | |
| Hydrochloric Acid SCHEMBL28947552 | 0.81 | SLC6A1 (0.46) | KDM4EMAPTKMT2AATMCYP2D6 | |
| SCHEMBL4743867 | 0.78 | — | — | |
| SCHEMBL532572 | 0.78 | GRIN1 (0.39) | — | |
| SCHEMBL1311841 | 0.77 | HCAR2 (0.39) | KDM4EMAPTKMT2AATMCYP2D6 | |
| SCHEMBL1036789 | 0.77 | HCAR2 (0.39) | KDM4EMAPTKMT2AATMCYP2D6 | |
| SCHEMBL3260263 | 0.76 | TSHR (0.38) | KDM4EMAPTKMT2AATMCYP2D6 | |
| SCHEMBL3260266 | 0.76 | TSHR (0.38) | KDM4EMAPTKMT2AATMCYP2D6 | |
| Hydrochloric Acid SCHEMBL1036788 | 0.76 | HCAR2 (0.38) | KDM4EMAPTKMT2AATMCYP2D6 | |
| Hydrochloric Acid SCHEMBL1036786 | 0.76 | HCAR2 (0.38) | KDM4EMAPTKMT2AATMCYP2D6 |
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-110938109-B | O-quinone compound, preparation method and medical application thereof | 中国药科大学 | 2022-05-24 | — | — | CN | disclosed |