Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | G6PD | P11413 | 1/20 | 0.34 |
| ▸ | CTSV | O60911 | 4/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | TERT | O14746 | 1/20 | 0.32 |
| ▸ | NQO1 | P15559 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.31 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.31 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.31 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.31 |
| ▸ | FLT4 | P35916 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | USP2 | O75604 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30613914 | 1.00 | G6PD (0.34) | G6PDCTSVBRD4PDCD1CD274 | |
| SCHEMBL2725699 | 0.81 | NQO1 (0.39) | PDCD1CD274NQO1NQO2MEN1 | |
| SCHEMBL8542166 | 0.80 | MEN1 (0.44) | TERTNQO1NQO2HTTMAPT | |
| SCHEMBL8543978 | 0.79 | IDO1 (0.35) | TERTNQO1NQO2HTTMAPT | |
| SCHEMBL8543922 | 0.78 | MEN1 (0.37) | NQO1NQO2HTTMAPTCSNK2A1 | |
| SCHEMBL5082535 | 0.77 | IDO1 (0.37) | NQO1NQO2HTTMAPTCSNK2A1 | |
| SCHEMBL105984 | 0.77 | IDO1 (0.37) | NQO1NQO2HTTMAPTCSNK2A1 | |
| SCHEMBL29369288 | 0.77 | IDO1 (0.37) | NQO1NQO2HTTMAPTCSNK2A1 | |
| SCHEMBL8547450 | 0.76 | NQO1 (0.43) | NQO1NQO2 | |
| Hydrochloric Acid SCHEMBL1650422 | 0.76 | NQO2 (0.36) | NQO1NQO2HTTMAPTCSNK2A1 |
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-2231664-A1 | 4-(PYRROLOÝ2,3-C¨PYRIDINE-3-YL)-PYRIMIDINE-2-AMINE DERIVATIVES | Merck Patent GmbH (DE) | 2010-09-29 | — | — | EP | disclosed |
| EP-2121684-A1 | SUBSTITUTED TETRAHYDROPYRROLOQUINOLINES | Merck Patent GmbH (DE) | 2009-11-25 | — | — | EP | disclosed |
| WO-2009092431-A1 | 4-(PYRROLO[2,3-C]PYRIDINE-3-YL)-PYRIMIDINE-2-AMINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2009-07-30 | — | — | WO | disclosed |
| WO-2008113452-A1 | SUBSTITUTED TETRAHYDROPYRROLOQUINOLINES | MERCK PATENT GMBH (DE) | 2008-09-25 | — | — | WO | disclosed |
| EP-1685136-A1 | USE OF THIENOPYRIMIDINES | MERCK PATENT GmbH (DE) | 2006-08-02 | — | — | EP | disclosed |
| EP-1496907-A4 | TYROSINE KINASE INHIBITORS | MERCK & CO INC (US) | 2006-05-10 | — | — | EP | disclosed |
| WO-2005047292-A1 | USE OF THIENOPYRIMIDINES | MERCK PATENT GMBH (DE) | 2005-05-26 | — | — | WO | disclosed |
| EP-1496907-A2 | TYROSINE KINASE INHIBITORS | Merck & Co., Inc. (US) | 2005-01-19 | — | — | EP | disclosed |
| WO-2003086315-A2 | TYROSINE KINASE INHIBITORS | MERCK & CO., INC. (US) | 2003-10-23 | — | — | WO | disclosed |