Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.71 |
| ▸ | LMNA | P02545 | 2/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | MRGPRX1 | Q96LB2 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.53 |
| ▸ | AURKA | O14965 | 1/20 | 0.53 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.53 |
| ▸ | JAK2 | O60674 | 1/20 | 0.53 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.53 |
| ▸ | ABL1 | P00519 | 1/20 | 0.53 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.53 |
| ▸ | LCK | P06239 | 1/20 | 0.53 |
| ▸ | FYN | P06241 | 1/20 | 0.53 |
| ▸ | CSF1R | P07333 | 1/20 | 0.53 |
| ▸ | RET | P07949 | 1/20 | 0.53 |
| ▸ | IGF1R | P08069 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL26978589 | 0.76 | ALDH1A1 (1.00) | RAB9ALMNAALDH1A1MRGPRX1CYP1A2 | |
| SCHEMBL3977779 | 0.75 | ALDH1A1 (0.72) | RAB9ALMNAALDH1A1MRGPRX1CYP1A2 | |
| SCHEMBL26980580 | 0.75 | MRGPRX1 (1.00) | RAB9ALMNAALDH1A1MRGPRX1CYP1A2 | |
| SCHEMBL29689504 | 0.74 | MRGPRX1 (1.00) | RAB9ALMNAALDH1A1MRGPRX1CYP1A2 | |
| SCHEMBL8018832 | 0.74 | CHEK1 (0.59) | RAB9ALMNAALDH1A1MRGPRX1CYP1A2 | |
| SCHEMBL29186533 | 0.73 | RAB9A (0.64) | RAB9ALMNAALDH1A1MRGPRX1CYP1A2 | |
| SCHEMBL29317895 | 0.72 | RAB9A (0.63) | RAB9ALMNAALDH1A1MRGPRX1CYP1A2 | |
| SCHEMBL23599113 | 0.72 | KMT2A (0.44) | RAB9ALMNAALDH1A1MRGPRX1CYP1A2 | |
| SCHEMBL2843606 | 0.71 | CHEK1 (0.61) | RAB9ALMNAALDH1A1MRGPRX1CYP1A2 | |
| SCHEMBL12559905 | 0.69 | CHEK1 (0.59) | RAB9ALMNAALDH1A1MRGPRX1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3399968-B1 | SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE | CS PHARMATECH LTD (KY) | 2021-10-20 | — | — | EP | disclosed |