Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL3856957 | 0.74 | CYP1A2 (0.33) | CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL7284036 | 0.66 | CYP1A2 (0.50) | CYP1A2CYP2D6 | |
| SCHEMBL2568072 | 0.63 | CYP1A2 (0.38) | CYP1A2CYP2D6 | |
| SCHEMBL34280 | 0.63 | CYP1A2 (0.38) | CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL1071947 | 0.62 | CYP1A2 (0.36) | CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL5078995 | 0.62 | CYP1A2 (0.36) | CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL153625 | 0.62 | CYP1A2 (0.36) | CYP1A2CYP2D6 | |
| SCHEMBL21808585 | 0.62 | CYP1A2 (0.36) | CYP1A2CYP2D6 | |
| SCHEMBL6443991 | 0.61 | CYP1A2 (0.39) | CYP1A2CYP2D6 | |
| Iodomethane SCHEMBL898632 | 0.61 | CYP1A2 (0.35) | CYP1A2CYP2D6 |
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-112823005-A | Pyrrolopyrimidine ITK inhibitors | 阿克拉瑞斯治疗股份有限公司 | 2021-05-18 | — | — | CN | disclosed |