Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 4/20 | 0.48 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CRHBP | P24387 | 1/20 | 0.45 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.45 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MPO | P05164 | 1/20 | 0.43 |
| ▸ | PDE5A | O76074 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12400717 | 0.83 | ADORA2B (0.48) | ADORA2BMEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7656600 | 0.75 | ALDH1A1 (0.49) | MEN1CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL3265647 | 0.74 | ATM (0.65) | ADORA2BCYP1A2ADORA2AMAPTPDE5A | |
| SCHEMBL4965756 | 0.71 | MEN1 (0.50) | ADORA2BMEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7654102 | 0.69 | ADORA2B (0.41) | ADORA2BMEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8741444 | 0.68 | HTR2A (0.41) | ADORA2BMEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5497681 | 0.68 | CYP2C19 (0.44) | SMPD1MEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL10419241 | 0.68 | HCAR2 (0.35) | MEN1CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL15759808 | 0.67 | BTK (0.46) | ADORA2BMEN1CYP1A2KMT2AADORA2A | |
| SCHEMBL13068443 | 0.67 | BTK (0.46) | ADORA2BMEN1CYP1A2KMT2AADORA2A |
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-2008106202-A1 | THERAMUTEIN MODULATORS | HOUSEY GERARD M (US) | 2008-09-04 | — | — | WO | disclosed |