Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.67 |
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | DPP4 | P27487 | 3/20 | 0.47 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.47 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.46 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.46 |
| ▸ | PDE1A | P54750 | 1/20 | 0.46 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.46 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL18024115 | 0.81 | GRIN1 (0.52) | KMT2ARXFP1DPP4NPBWR1 | |
| SCHEMBL12604441 | 0.78 | RXFP1 (0.74) | RXFP1TP53SMN1; SMN2ADORA2BCASP1 | |
| SCHEMBL555839 | 0.77 | PDE1A (0.67) | KMT2APOLBHIF1ARXFP1TP53 | |
| SCHEMBL1946560 | 0.77 | KMT2A (0.66) | KMT2APOLBHIF1ARXFP1TP53 | |
| SCHEMBL11014928 | 0.76 | POLB (0.83) | KMT2APOLBHIF1ARXFP1TP53 | |
| SCHEMBL557074 | 0.76 | THRB (0.50) | KMT2APOLBRXFP1SMN1; SMN2MAPK1 | |
| SCHEMBL4510187 | 0.76 | NPBWR1 (0.48) | KMT2ARXFP1TP53NPBWR1MAPT | |
| SCHEMBL29148051 | 0.75 | ADORA2B (0.62) | KMT2APOLBADORA2BLMNAMAPK1 | |
| SCHEMBL7603292 | 0.73 | POLB (0.74) | KMT2APOLBHIF1ARXFP1TP53 | |
| SCHEMBL7016279 | 0.72 | RXFP1 (0.65) | RXFP1TP53SMN1; SMN2ADORA2BCASP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8907086-B2 | Fused bicyclic heterocycles useful as dipeptidyl peptidase-IV inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-12-09 | — | — | US | disclosed |