Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 7/20 | 0.50 |
| ▸ | NPC1 | O15118 | 5/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.47 |
| ▸ | KDR | P35968 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1290116 | 0.86 | ROCK1 (0.54) | ROCK1CA1CA2CA9 | |
| SCHEMBL29152163 | 0.85 | ROCK1 (0.54) | ROCK1NPC1POLBHPGDALDH1A1 | |
| SCHEMBL20365272 | 0.83 | ROCK1 (0.54) | ROCK1CA1CA2CA9 | |
| SCHEMBL28616950 | 0.81 | ROCK1 (0.52) | ROCK1RAB9APKMMAPK1KMT2A | |
| SCHEMBL5675802 | 0.81 | NPC1 (0.62) | RAB9ANPC1PDGFRBKDRKMT2A | |
| SCHEMBL5678324 | 0.80 | NPC1 (0.51) | RAB9ANPC1PDGFRBKDRKMT2A | |
| SCHEMBL20359137 | 0.80 | ROCK1 (0.51) | ROCK1CA1CA2CA9 | |
| SCHEMBL423204 | 0.77 | PDGFRB (0.61) | RAB9ANPC1PDGFRBKDRKMT2A | |
| SCHEMBL1290158 | 0.77 | PRMT5 (0.57) | ROCK1CA1CA2CA9 | |
| SCHEMBL14898157 | 0.76 | ROCK1 (0.63) | ROCK1CA1CA2CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117164591-A | Pyrrolopyrimidine compound, preparation method and pharmaceutical application thereof | 中国医学科学院药物研究所 | 2023-12-05 | — | — | CN | disclosed |
| WO-2023226580-A1 | PYRROLOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF | 中国医学科学院药物研究所 | 2023-11-30 | — | — | WO | disclosed |