Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | MRGPRX1 | Q96LB2 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | PYGL | P06737 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28464497 | 0.92 | KMT2A (0.58) | MRGPRX1KMT2AMEN1GAATP53 | |
| SCHEMBL28899525 | 0.80 | MRGPRX1 (0.54) | MRGPRX1KMT2AMEN1GAAMAPT | |
| SCHEMBL9232918 | 0.79 | APP (0.51) | CYP1A2CYP3A4CYP2C19KMT2AMEN1 | |
| SCHEMBL4796147 | 0.79 | ALDH1A1 (0.59) | CYP1A2CYP3A4CYP2C19KMT2AMEN1 | |
| SCHEMBL29760424 | 0.79 | ALDH1A1 (0.59) | CYP1A2CYP3A4CYP2C19KMT2AMEN1 | |
| SCHEMBL10747417 | 0.77 | MAPT (0.56) | CYP1A2CYP3A4CYP2C19KMT2AMEN1 | |
| SCHEMBL22871318 | 0.77 | PYGL (0.61) | CYP1A2CYP3A4CYP2C19KMT2AGAA | |
| SCHEMBL28331761 | 0.76 | KMT2A (0.72) | KMT2AMEN1GAASMN1; SMN2MAPT | |
| SCHEMBL28589510 | 0.76 | SMN1; SMN2 (0.54) | CYP1A2CYP3A4CYP2C19KMT2AMEN1 | |
| SCHEMBL3135239 | 0.76 | PYGL (0.69) | CYP1A2CYP3A4CYP2C19KMT2AGAA |
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-110372692-B | Dihydroquinazolinone reverse transport process blocker, and preparation method and application thereof | 中国人民解放军军事科学院军事医学研究院 | 2020-10-23 | — | — | CN | disclosed |