Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | HMGCR | P04035 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PHGDH | O43175 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9588186 | 0.80 | CYP2D6 (0.50) | CYP2D6CYP2C19HIF1AHMGCRCHRM1 | |
| SCHEMBL12656182 | 0.77 | TSHR (0.57) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| SCHEMBL11316883 | 0.74 | CYP2C19 (0.55) | CYP2D6CYP2C19HIF1ATSHRTP53 | |
| SCHEMBL298385 | 0.73 | CYP2D6 (1.00) | CYP2D6CYP2C19HIF1ATSHRPOLB | |
| SCHEMBL2223767 | 0.72 | — | — | |
| SCHEMBL11256098 | 0.72 | CYP2D6 (0.46) | CYP2D6CYP2C19HIF1ATSHRPOLB | |
| Ammonia Solution, Strong SCHEMBL27893881 | 0.70 | CYP2D6 (0.92) | CYP2D6CYP2C19HIF1ATSHRPOLB | |
| Hydrochloric Acid SCHEMBL11150442 | 0.70 | CYP2D6 (0.92) | CYP2D6CYP2C19HIF1ATSHRPOLB | |
| SCHEMBL352634 | 0.69 | — | — | |
| SCHEMBL31457164 | 0.69 | TSHR (0.48) | TSHRHSD17B10ALDH1A1FFAR1TDP1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1000039-B1 | SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS | WYETH CORP (US) | 2004-06-09 | — | — | EP | disclosed |
| US-6251912-B1 | Substituted quinazoline derivatives | AMERICAN CYANAMID COMPANY | 2001-06-26 | — | — | US | disclosed |
| EP-1000039-A1 | SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS | American Cyanamid Company (US) | 2000-05-17 | — | — | EP | disclosed |
| WO-1999009016-A1 | SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS | AMERICAN CYANAMID COMPANY (US) | 1999-02-25 | — | — | WO | disclosed |
| US-5270334-A | 4-methoxy-5-methyl-pyran-3-ol natural products and derivatives thereof | E. R. SQUIBB & SONS, INC. (US) | 1993-12-14 | — | — | US | disclosed |
| US-5223623-A | 2-substituted-1(4)-aryl piperazines and the process for their preparation | SCHERING AG (DE) | 1993-06-29 | — | — | US | disclosed |
| EP-0491709-A1 | 2-SUBSTITUTED-1(4)-ARYL PIPERAZINES AND THE PROCESS FOR THEIR PREPARATION | SCHERING AKTIENGESELLSCHAFT (DE) | 1992-07-01 | — | — | EP | disclosed |
| US-5051422-A | 2-substituted-1(4)-aryl piperazines and the process for their preparation | SCHERING AG (DE) | 1991-09-24 | — | — | US | disclosed |
| WO-1991004250-A1 | 2-SUBSTITUTED-1(4)-ARYL PIPERAZINES AND THE PROCESS FOR THEIR PREPARATION | SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) | 1991-04-04 | — | — | WO | disclosed |