Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.32 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.32 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25551823 | 0.91 | KCNH2 (0.40) | HRH3KCNH2PIK3CDCCR2CYP2D6 | |
| SCHEMBL25558123 | 0.91 | PIK3CD (0.44) | HRH3KCNH2PIK3CDCYP2D6KDM4E | |
| SCHEMBL25558598 | 0.87 | KCNH2 (0.38) | HRH3KCNH2CCR2CYP2D6DPP8 | |
| SCHEMBL18705111 | 0.82 | HRH3 (0.48) | HRH3KCNH2PIK3CDCCR2CYP2D6 | |
| SCHEMBL25558120 | 0.81 | HRH3 (0.39) | HRH3KCNH2CYP2D6KDM4EALDH1A1 | |
| SCHEMBL25551500 | 0.81 | CYP1A2 (0.40) | KCNH2PIK3CDCCR2BRD4CNR1 | |
| SCHEMBL25565194 | 0.80 | PIK3CD (0.43) | HRH3KCNH2PIK3CDCCR2CYP2D6 | |
| SCHEMBL25565485 | 0.80 | KCNH2 (0.36) | HRH3KCNH2CCR2 | |
| SCHEMBL24671545 | 0.79 | KCNH2 (0.47) | HRH3KCNH2PIK3CDCCR2CYP2D6 | |
| SCHEMBL25557772 | 0.79 | CHRNB2 (0.40) | HRH3KCNH2PIK3CDCCR2CYP2D6 |
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-2023096995-A1 | COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED N-(2-CHLORO-6-METHYLPHENYL)-2-((6-(6-MEMBERED HETEROCYCLOALKYL)-2-METHYLPYRIMIDIN-4-YL)AMINO)THIAZOLE-5-CARBOXAMIDE ANALOGUES | ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) | 2023-06-01 | — | — | WO | disclosed |