Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 2/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL17897288 | 1.00 | SLC6A9 (0.43) | SLC6A9NOTUMSMN1; SMN2HTR3EHTR3B | |
| SCHEMBL24680910 | 0.84 | KDM4E (0.37) | ADRA2AADRA2BADRA2CKDM4E | |
| SCHEMBL15858970 | 0.84 | MAPT (0.43) | NOTUMSMN1; SMN2KMT2AMEN1KDM4E | |
| SCHEMBL17897235 | 0.84 | MAPT (0.43) | NOTUMSMN1; SMN2KMT2AMEN1KDM4E | |
| SCHEMBL19003675 | 0.83 | KDM4E (0.41) | NOTUMSMN1; SMN2SIGMAR1KMT2AMEN1 | |
| SCHEMBL17897242 | 0.83 | KDM4E (0.41) | NOTUMSMN1; SMN2SIGMAR1KMT2AMEN1 | |
| SCHEMBL17897247 | 0.83 | KDM4E (0.41) | NOTUMSMN1; SMN2SIGMAR1KMT2AMEN1 | |
| SCHEMBL4014671 | 0.81 | NOTUM (0.40) | SLC6A9NOTUMSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL4021713 | 0.81 | NOTUM (0.40) | SLC6A9NOTUMSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL15858055 | 0.78 | ADRA2A (0.52) | NOTUMHTR3EHTR3BADRB1HTR3A |
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 |