Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | CASP1 | P29466 | 2/20 | 0.53 |
| ▸ | CASP7 | P55210 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.46 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.45 |
| ▸ | CASP6 | P55212 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6033594 | 0.92 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2ACASP1CASP7 | |
| SCHEMBL5833750 | 0.84 | NPC1 (0.54) | ALDH1A1MEN1KMT2ACASP1CASP7 | |
| SCHEMBL7748018 | 0.84 | ALDH1A1 (0.61) | ALDH1A1MEN1KMT2ACASP1CASP7 | |
| Bromide SCHEMBL3267271 | 0.82 | ALDH1A1 (0.59) | ALDH1A1MEN1KMT2ACASP1CASP7 | |
| Hydrochloric Acid SCHEMBL28692703 | 0.82 | ALDH1A1 (0.59) | ALDH1A1MEN1KMT2ACASP1CASP7 | |
| SCHEMBL1161458 | 0.78 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2ACASP1CASP7 | |
| SCHEMBL30174396 | 0.78 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2ACASP1CASP7 | |
| SCHEMBL246244 | 0.77 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2ACASP1CASP7 | |
| SCHEMBL8123144 | 0.77 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2ACASP1CASP7 | |
| SCHEMBL10368122 | 0.77 | CASP6 (0.62) | ALDH1A1MEN1KMT2ACASP1CASP7 |
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-2023125812-A1 | SUBSTITUTED PYRIMIDONE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF | 上海海雁医药科技有限公司 | 2023-07-06 | — | — | WO | disclosed |