Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.57 |
| ▸ | CHKA | P35790 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | CACNA2D1 | P54289 | 3/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | F10 | P00742 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15247182 | 0.83 | CHKA (0.58) | NCF1CHKALMNAALDH1A1KDM4E | |
| SCHEMBL11990247 | 0.78 | CHKA (0.56) | NCF1CHKALMNAALDH1A1KDM4E | |
| SCHEMBL11989517 | 0.78 | CHKA (0.53) | NCF1CHKALMNAALDH1A1KDM4E | |
| SCHEMBL24171097 | 0.76 | CHKA (0.54) | NCF1CHKALMNAALDH1A1KDM4E | |
| SCHEMBL19977464 | 0.76 | ALDH1A1 (0.46) | LMNAALDH1A1KDM4EMAPTADRA2C | |
| SCHEMBL101926 | 0.76 | ALDH1A1 (0.64) | CHKALMNAALDH1A1KDM4EGAA | |
| SCHEMBL82022 | 0.74 | CHKA (0.64) | NCF1CHKALMNAALDH1A1KDM4E | |
| SCHEMBL3156564 | 0.74 | NPC1 (0.49) | LMNAALDH1A1GAAMAPTKMT2A | |
| SCHEMBL14146896 | 0.73 | MAPT (0.60) | NCF1CHKALMNAALDH1A1KDM4E | |
| SCHEMBL217159 | 0.73 | MAPT (0.85) | NCF1CHKALMNAALDH1A1KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2124951-B1 | 5-CYAN0-4- (PYRROLO[2, 3B]PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMA (US) | 2014-05-21 | — | — | EP | disclosed |