Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.41 |
| ▸ | PDE2A | O00408 | 1/20 | 0.41 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.41 |
| ▸ | PDE5A | O76074 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1855271 | 0.73 | DHFR (0.53) | DHFRHTTALDH1A1HPGDPOLB | |
| SCHEMBL30647980 | 0.67 | DHFR (0.48) | DHFRHTTCA2ALDH1A1CYP3A4 | |
| SCHEMBL11831045 | 0.65 | DHFR (0.58) | DHFRHTTCA2ALDH1A1CYP2D6 | |
| SCHEMBL1859068 | 0.64 | HSP90AA1 (0.69) | KMT2ADHFRHTTCA2ALDH1A1 | |
| SCHEMBL9828253 | 0.64 | CA2 (0.77) | DHFRHTTCA2ALDH1A1CYP3A4 | |
| SCHEMBL1053909 | 0.64 | DHFR (0.50) | DHFRHTTCA2 | |
| SCHEMBL11006578 | 0.64 | DHFR (0.71) | DHFRHTT | |
| SCHEMBL1855267 | 0.64 | DHFR (0.53) | KMT2ADHFRHTTCA2ALDH1A1 | |
| SCHEMBL2095593 | 0.63 | CA2 (1.00) | CA2ALDH1A1CYP3A4LMNACYP2C9 | |
| SCHEMBL11567021 | 0.63 | DHFR (0.67) | DHFRHTTCA2ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-103261202-B | As the fused tricyclic compounds of adenosine receptor antagonists | ADVINUS THERAPEUTICS LTD. (IN) | 2016-01-20 | — | — | CN | disclosed |