Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.44 |
| ▸ | RAPGEF3 | O95398 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | HPN | P05981 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30737582 | 0.92 | RAPGEF3 (0.41) | RAPGEF3ALDH1A1LMNAKMT2ANPC1 | |
| SCHEMBL19926274 | 0.84 | LMNA (0.43) | ALDH1A1LMNAKMT2ANPC1RAB9A | |
| SCHEMBL3101199 | 0.76 | GSK3B (0.54) | EPHX1ALDH1A1NPC1RAB9AEPHX2 | |
| SCHEMBL20075532 | 0.76 | LMNA (0.46) | SMN1; SMN2ALDH1A1LMNAHTTNPC1 | |
| SCHEMBL25218415 | 0.73 | ESR2 (0.43) | ALDH1A1HTTKMT2APOLBKDM4E | |
| SCHEMBL7057533 | 0.72 | GAA (0.54) | EPHX1SMN1; SMN2ALDH1A1LMNAPOLB | |
| SCHEMBL1560564 | 0.72 | KMT2A (0.51) | SMN1; SMN2ALDH1A1LMNAKMT2ANPC1 | |
| SCHEMBL6831516 | 0.71 | CA1 (0.50) | RAPGEF3ALDH1A1LMNANPC1MAPT | |
| SCHEMBL25372325 | 0.71 | GSK3B (0.41) | SMN1; SMN2ALDH1A1LMNAHTTKMT2A | |
| SCHEMBL196518 | 0.70 | SRD5A2 (0.62) | SMN1; SMN2ALDH1A1LMNAHTTKMT2A |
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-117510505-A | Pyrimidopyrazoles derivatives and their use in medicine | 中国药科大学 | 2024-02-06 | — | — | CN | disclosed |