Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.40 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.39 |
| ▸ | SGMS2 | Q8NHU3 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 6/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CTSV | O60911 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL248993 | 0.85 | EGFR (0.43) | MEN1KMT2AMAPTALDH1A1HPGD | |
| SCHEMBL249906 | 0.83 | MEN1 (0.46) | HTR1AADRA1DADRA1AADRA1BPIN1 | |
| SCHEMBL168495 | 0.77 | PIN1 (0.50) | HTR1AADRA1DADRA1AADRA1BPIN1 | |
| SCHEMBL168460 | 0.77 | ALDH1A1 (0.40) | HTR1AADRA1DADRA1AADRA1BSGMS2 | |
| SCHEMBL248873 | 0.73 | ATM (0.42) | MEN1KMT2AMAPTMAOBHPGD | |
| SCHEMBL12151484 | 0.68 | HTR1A (0.59) | HTR1AADRA1DADRA1AADRA1BPIN1 | |
| SCHEMBL8120604 | 0.68 | F2 (0.49) | HTR1AADRA1DADRA1AADRA1BSGMS2 | |
| SCHEMBL8120600 | 0.68 | F2 (0.49) | HTR1AADRA1DADRA1AADRA1BSGMS2 | |
| SCHEMBL249905 | 0.68 | MEN1 (0.45) | MEN1KMT2AMAPTALDH1A1HPGD | |
| SCHEMBL7414623 | 0.68 | POLB (0.54) | SGMS2MEN1KMT2AMAPTMAOB |
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-2588457-B1 | PYRAZOLOQUINOLINE DERIVATIVES AS DNA-PK INHIBITORS | MERCK PATENT GMBH (DE) | 2014-11-05 | — | — | EP | disclosed |
| EP-2588457-A1 | PYRAZOLO-QUINOLINES | Merck Patent GmbH (DE) | 2013-05-08 | — | — | EP | disclosed |
| WO-2012000632-A1 | PYRAZOLO-QUINOLINES | MERCK PATENT GMBH (DE) | 2012-01-05 | — | — | WO | disclosed |