Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | S100A4 | P26447 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16656146 | 0.87 | ALDH1A1 (0.42) | PDK2MAPTALDH1A1MAPK1LMNA | |
| SCHEMBL19092436 | 0.83 | PDK2 (0.54) | PDK2MAPTRAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL29683736 | 0.81 | PDK2 (0.51) | PDK2MAPTRAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL12514856 | 0.80 | PDK2 (0.43) | PDK2MAPTRAB9AMEN1KMT2A | |
| SCHEMBL13957189 | 0.79 | PDK2 (0.38) | PDK2MAPTRAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL23989351 | 0.79 | PDK2 (0.49) | PDK2MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL14831134 | 0.79 | PDK2 (0.49) | PDK2MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL14174225 | 0.79 | PDK2 (0.38) | PDK2MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL18559923 | 0.78 | PDK2 (0.44) | PDK2MAPTRAB9AMEN1KMT2A | |
| SCHEMBL22071187 | 0.78 | ESR1 (0.36) | PDK2MAPTRAB9AMEN1KMT2A |
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-1927610-B1 | Process for the synthesis of aryl- or heteroarylamine boronic acid derivatives | MERCK PATENT GMBH (DE) | 2009-11-25 | — | — | EP | disclosed |