Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | WHR1 | P49842 | 1/20 | 0.61 |
| ▸ | KIT | P10721 | 2/20 | 0.60 |
| ▸ | EGFR | P00533 | 11/20 | 0.58 |
| ▸ | RET | P07949 | 1/20 | 0.58 |
| ▸ | KDR | P35968 | 1/20 | 0.58 |
| ▸ | CSF1R | P07333 | 4/20 | 0.57 |
| ▸ | LCK | P06239 | 2/20 | 0.57 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.56 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 2/20 | 0.54 |
| ▸ | KRAS | P01116 | 1/20 | 0.53 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | BACE1 | P56817 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL6181412 | 0.91 | EGFR (0.63) | WHR1KITEGFRRETKDR | |
| SCHEMBL4725258 | 0.90 | KDM1A (0.57) | WHR1KITEGFRRETKDR | |
| SCHEMBL6836832 | 0.88 | EGFR (0.62) | WHR1KITEGFRRETKDR | |
| SCHEMBL4725216 | 0.88 | EGFR (0.58) | WHR1KITEGFRRETKDR | |
| SCHEMBL4727998 | 0.88 | EGFR (0.58) | WHR1KITEGFRRETKDR | |
| SCHEMBL4726982 | 0.86 | KIT (0.59) | KITEGFRRETKDRPDGFRB | |
| SCHEMBL5569432 | 0.84 | KIT (0.69) | KITEGFRRETKDRLCK | |
| SCHEMBL6180664 | 0.84 | KIT (0.61) | KITEGFRRETKDRLCK | |
| SCHEMBL5568255 | 0.84 | KIT (0.64) | KITEGFRRETKDRLCK | |
| SCHEMBL182794 | 0.84 | PIK3CD (0.70) | LMNAADORA2AMAPK1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1100540-C | Protein tyrosine kinase aryl and heteroaryl quinazoline compounds having selective inhibition of HER-2 autophosphorylation properties | AVENTIS PHARMA INC (US) | 2003-02-05 | — | — | CN | claimed |
| CN-1187129-A | Protein tyrosine kinase aryl and heteroaryl quinazoline compounds having selective inhibition of HER-2 autophosphorylation properties | RHONE POULENC RORER PHARMA (US) | 1998-07-08 | — | — | CN | claimed |
| CN-110078675-B | 4-aryl quinazoline compound and preparation method thereof | 郑州大学 | 2022-09-23 | — | — | CN | disclosed |
| WO-2008020302-A2 | HETEROAROMATIC QUINOLINE-BASED COMPOUNDS AS PHOSPHODIESTERASE (PDE) INHIBITORS | PFIZER PRODUCTS INC. (US) | 2008-02-21 | — | — | WO | disclosed |
| CN-1100540-C | Protein tyrosine kinase aryl and heteroaryl quinazoline compounds having selective inhibition of HER-2 autophosphorylation properties | AVENTIS PHARMA INC (US) | 2003-02-05 | — | — | CN | disclosed |
| CN-1187129-A | Protein tyrosine kinase aryl and heteroaryl quinazoline compounds having selective inhibition of HER-2 autophosphorylation properties | RHONE POULENC RORER PHARMA (US) | 1998-07-08 | — | — | CN | disclosed |