Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL893581 | 0.82 | — | — | |
| SCHEMBL17690276 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL31482227 | 0.80 | HRH3 (0.44) | CYP1A2CHRNA7HRH4HRH3KMT2A | |
| Hydrochloric Acid SCHEMBL4428244 | 0.80 | HRH3 (0.44) | CYP1A2CHRNA7HRH4HRH3KMT2A | |
| Ammonia Solution, Strong SCHEMBL27321717 | 0.80 | HRH3 (0.44) | CYP1A2CHRNA7HRH4HRH3KMT2A | |
| SCHEMBL20344863 | 0.80 | — | — | |
| SCHEMBL25802029 | 0.76 | CYP1A2 (0.46) | CYP1A2CHRNA7CA1CA2CA4 | |
| SCHEMBL14865879 | 0.76 | CYP1A2 (0.41) | CYP1A2CHRNA7CA1CA2CA4 | |
| SCHEMBL14699405 | 0.74 | — | — | |
| SCHEMBL21140619 | 0.74 | CYP1A2 (0.45) | CYP1A2CA1CA2CA4HRH4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010016005-A1 | 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS | PFIZER INC. (US) | 2010-02-11 | — | — | WO | disclosed |
| EP-2118111-A1 | 2-AMIN0-5, 7-DIHYDR0-6H- PYRROLO [3, 4-D] PYRIMIDINE DERIVATIVES AS HSP-90 INHIBITORS FOR TREATING CANCER | Pfizer Inc. (US) | 2009-11-18 | — | — | EP | disclosed |
| WO-2008096218-A1 | 2-AMIN0-5, 7-DIHYDR0-6H- PYRROLO [3, 4-D] PYRIMIDINE DERIVATIVES AS HSP-90 INHIBITORS FOR TREATING CANCER | PFIZER INC. (US) | 2008-08-14 | — | — | WO | disclosed |