Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13341575 | 0.89 | NPSR1 (0.50) | ALDH1A1CYP1A2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL13341459 | 0.81 | ADORA2A (0.49) | MEN1KMT2AALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL8221499 | 0.78 | NPSR1 (0.48) | ALDH1A1CYP1A2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL8224740 | 0.75 | TNF (0.51) | MEN1KMT2AALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL8220814 | 0.72 | ADORA2A (0.46) | CYP1A2CYP2C9CYP3A4CYP2D6NPSR1 | |
| SCHEMBL8223342 | 0.71 | ADORA2A (0.55) | — | |
| SCHEMBL13341672 | 0.71 | ADORA2A (0.45) | ALDH1A1TDP1MAPTKDM4E | |
| SCHEMBL8221769 | 0.71 | SLC22A12 (0.42) | — | |
| SCHEMBL8220368 | 0.70 | ADORA2A (0.52) | ALDH1A1TP53TDP1MAPTKDM4E | |
| SCHEMBL8221183 | 0.70 | ADORA2A (0.47) | CYP1A2CYP2C9CYP3A4LMNACYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008002596-A2 | ADENOSINE A2A RECEPTOR ANTAGONISTS | SCHERING CORPORATION (US) | 2008-01-03 | — | — | WO | disclosed |