Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 2/20 | 0.39 |
| ▸ | CTSS | P25774 | 2/20 | 0.39 |
| ▸ | CTSK | P43235 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17897242 | 1.00 | KDM4E (0.41) | KDM4EALDH1A1GFERL3MBTL1CHRNA7 | |
| SCHEMBL17897247 | 1.00 | KDM4E (0.41) | KDM4EALDH1A1GFERL3MBTL1CHRNA7 | |
| SCHEMBL18948510 | 0.84 | L3MBTL1 (0.34) | KDM4EALDH1A1GFERL3MBTL1CTSB | |
| SCHEMBL19002865 | 0.84 | CHRNA7 (0.44) | KDM4EALDH1A1GFERL3MBTL1CHRNA7 | |
| SCHEMBL24680910 | 0.83 | KDM4E (0.37) | KDM4EALDH1A1ADRA2AADRA2BADRA2C | |
| SCHEMBL17897235 | 0.83 | MAPT (0.43) | KDM4EALDH1A1GFERNOTUMFAAH | |
| SCHEMBL19003591 | 0.83 | SLC6A9 (0.43) | KDM4ENOTUMADRA2AADRA2BADRA2C | |
| SCHEMBL17897288 | 0.83 | SLC6A9 (0.43) | KDM4ENOTUMADRA2AADRA2BADRA2C | |
| SCHEMBL15858970 | 0.83 | MAPT (0.43) | KDM4EALDH1A1GFERNOTUMFAAH | |
| SCHEMBL30772256 | 0.78 | GAA (0.51) | KDM4EADRA2CMEN1KMT2ASMN1; SMN2 |
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-2938344-B1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | disclosed |