Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 19/20 | 0.77 |
| ▸ | BRAF known ✓ | P15056 | 2/20 | 0.72 |
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.72 |
| ▸ | KIT known ✓ | P10721 | 1/20 | 0.72 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.72 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.72 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.72 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.72 |
| ▸ | CIT | O14578 | 1/20 | 0.72 |
| ▸ | GAK | O14976 | 1/20 | 0.72 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.72 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.72 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.72 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.72 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.72 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.72 |
| ▸ | STK17B | O94768 | 1/20 | 0.72 |
| ▸ | STK10 | O94804 | 1/20 | 0.72 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.72 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.72 |
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 | |
|---|---|---|---|---|
| SCHEMBL20532037 | 0.99 | EGFR (0.78) | EGFRERBB2BRAFCITGAK | |
| SCHEMBL22754700 | 0.96 | EGFR (0.81) | EGFRERBB2BRAFCITGAK | |
| SCHEMBL14971212 | 0.96 | EGFR (0.81) | EGFRERBB2BRAFCITGAK | |
| SCHEMBL14971247 | 0.96 | EGFR (0.81) | EGFRERBB2BRAFCITGAK | |
| SCHEMBL14971150 | 0.96 | EGFR (0.81) | EGFRERBB2BRAFCITGAK | |
| SCHEMBL30207628 | 0.96 | EGFR (0.81) | EGFRERBB2BRAFCITGAK | |
| SCHEMBL15938591 | 0.91 | EGFR (0.75) | EGFRERBB2BRAFCITGAK | |
| Gefitinib SCHEMBL28528167 | 0.89 | EGFR (0.91) | EGFRERBB2BRAFCITGAK | |
| Gefitinib SCHEMBL10879 | 0.89 | EGFR (0.91) | EGFRERBB2BRAFCITGAK | |
| SCHEMBL14971227 | 0.89 | EGFR (0.72) | EGFRERBB2BRAFCITGAK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3365344-B1 | (3-CHLORO-4-FLUORO-PHENYL)-(6-((4AR,7AS)-3-(HEXAHYDRO-(1,4)DIOXINO(2,3-C)PYRROL-6-YL)-PROPOXY)-7-METHOXY-QUINAZOLIN-4-YL)-AMINE DI(METHANESULFONIC ACID) SALT AND CRYSTALLINE FORM OF THE MONOHYDRATE (A EGFR INHIBITOR) | SUNSHINE LAKE PHARMA CO LTD (CN) | 2020-12-09 | — | — | EP | disclosed |
| US-10308658-B2 | Salt of EGFR inhibitor, crystalline form and uses thereof | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2019-06-04 | — | — | US | disclosed |
| US-20180298019-A1 | A SALT OF EGFR INHIBITOR, CRYSTALLINE FORM AND USES THEREOF | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2018-10-18 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-10308658-B2 | Salt of EGFR inhibitor, crystalline form and uses thereof | EGFR, ERBB2, ERBB4 | EGFR 1/4885BRAF 20/4885ABL1 4/4885 |
| US-20180298019-A1 | A SALT OF EGFR INHIBITOR, CRYSTALLINE FORM AND USES THEREOF | EGFR, ERBB4, ERBB2 | EGFR 1/4885BRAF 24/4885ABL1 4/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.