Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 19/20 | 0.46 |
| ▸ | RET | P07949 | 2/20 | 0.46 |
| ▸ | BLK | P51451 | 2/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.45 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.45 |
| ▸ | FLT3 | P36888 | 1/20 | 0.45 |
| ▸ | TEC | P42680 | 1/20 | 0.45 |
| ▸ | TXK | P42681 | 1/20 | 0.45 |
| ▸ | BMX | P51813 | 1/20 | 0.45 |
| ▸ | ITK | Q08881 | 1/20 | 0.45 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL22593947 | 0.80 | BTK (0.67) | BTKRETBLKEGFRERBB2 | |
| SCHEMBL21391599 | 0.76 | BTK (0.59) | BTKRETBLKEGFRERBB2 | |
| SCHEMBL22677178 | 0.75 | KDR (0.47) | RETBLKEGFRFLT3ERBB4 | |
| SCHEMBL22658885 | 0.74 | KDR (0.44) | BTKRETEGFR | |
| SCHEMBL29407661 | 0.72 | FGFR1 (0.60) | BTKRETEGFR | |
| SCHEMBL22658573 | 0.72 | FGFR1 (0.60) | BTKRETEGFR | |
| SCHEMBL22677981 | 0.71 | SRC (0.55) | EGFRFLT3 | |
| SCHEMBL29407781 | 0.71 | SRC (0.55) | EGFRFLT3 | |
| SCHEMBL19561762 | 0.71 | EGFR (0.53) | BTKRETEGFRITK | |
| SCHEMBL20198816 | 0.71 | BTK (0.59) | BTKRETEGFR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3546460-A1 | PYRIMIDO[5,4-B]INDOLIZINE OR PYRIMIDO[5,4-B]PYRROLIZINE COMPOUND, PREPARATION METHOD AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2019-10-02 | — | — | EP | disclosed |
| WO-2018095398-A1 | PYRIMIDO[5,4-B]INDOLIZINE OR PYRIMIDO[5,4-B]PYRROLIZINE COMPOUND, PREPARATION METHOD AND USE THEREOF | 中国科学院上海药物研究所 | 2018-05-31 | — | — | WO | disclosed |