Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.72 |
| ▸ | THPO | P40225 | 2/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.72 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.72 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.72 |
| ▸ | MEN1 | O00255 | 1/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.72 |
| ▸ | BLM | P54132 | 1/20 | 0.72 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | GLA | P06280 | 1/20 | 0.64 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | NPC1 | O15118 | 1/20 | 0.64 |
| ▸ | NPY1R | P25929 | 1/20 | 0.64 |
| ▸ | HTT | P42858 | 1/20 | 0.64 |
| ▸ | NPY2R | P49146 | 1/20 | 0.64 |
| ▸ | RAB9A | P51151 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL10399798 | 0.85 | PGK1 (0.70) | THPOADORA2AADORA2BSLC29A1TSHR | |
| SCHEMBL10399490 | 0.84 | PI4KA (0.57) | CYP1A2THPOCYP2C19ADORA2AADORA2B | |
| SCHEMBL29387702 | 0.84 | CYP1A2 (1.00) | CYP1A2THPOCYP2C19ADORA2AADORA2B | |
| SCHEMBL725689 | 0.84 | CYP1A2 (1.00) | CYP1A2THPOCYP2C19ADORA2AADORA2B | |
| SCHEMBL725690 | 0.84 | CYP1A2 (1.00) | CYP1A2THPOCYP2C19ADORA2AADORA2B | |
| SCHEMBL4808305 | 0.84 | CYP1A2 (0.73) | CYP1A2THPOCYP2C19ADORA2AADORA2B | |
| SCHEMBL29753859 | 0.84 | CYP1A2 (1.00) | CYP1A2THPOCYP2C19ADORA2AADORA2B | |
| SCHEMBL10399357 | 0.83 | ADORA2A (0.68) | ADORA2AADORA2BSLC29A1ADORA3ADORA1 | |
| SCHEMBL10399488 | 0.82 | ADORA3 (0.62) | ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL10625871 | 0.81 | ADORA2A (0.70) | CYP1A2THPOCYP2C19ADORA2AADORA2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4977144-A | ADENOSINE AGONISTS | CIBA-GEIGY CORPORATION (US) | 1990-12-11 | — | — | US | disclosed |
| EP-0354180-A2 | Certain imidazo[4,5-b]pyridine derivatives | CIBA-GEIGY AG (CH) | 1990-02-07 | — | — | EP | disclosed |