Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 1/20 | 0.54 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.45 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.44 |
| ▸ | TTBK2 | Q6IQ55 | 1/20 | 0.44 |
| ▸ | JAK3 | P52333 | 8/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8929636 | 0.99 | HPGDS (0.53) | HPGDSIRAK4GRIN2BTTBK1TTBK2 | |
| SCHEMBL6642228 | 0.84 | HPGDS (0.67) | HPGDSIRAK4GRIN2BTTBK1TTBK2 | |
| SCHEMBL8929331 | 0.81 | HPGDS (0.48) | HPGDSIRAK4GRIN2BTTBK1TTBK2 | |
| Hydrochloric Acid SCHEMBL8929839 | 0.81 | HPGDS (0.47) | HPGDSIRAK4GRIN2BTTBK1TTBK2 | |
| SCHEMBL8929835 | 0.78 | HPGDS (0.63) | HPGDSIRAK4GRIN2BTTBK1TTBK2 | |
| Hydrochloric Acid SCHEMBL8929253 | 0.77 | HPGDS (0.61) | HPGDSIRAK4GRIN2BTTBK1TTBK2 | |
| SCHEMBL1818948 | 0.74 | HPGDS (0.88) | HPGDSIRAK4GRIN2BJAK3CYP2D6 | |
| SCHEMBL193515 | 0.73 | AURKA (0.57) | HPGDSIRAK4TTBK1TTBK2JAK3 | |
| SCHEMBL6746641 | 0.73 | AURKA (0.57) | HPGDSIRAK4TTBK1TTBK2JAK3 | |
| SCHEMBL8930214 | 0.71 | AURKA (0.59) | HPGDSIRAK4TTBK1TTBK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0795556-A1 | 4-Substituted pyrrolopyrimidine compounds as tyrosin kinase inhibitors | PHARMACIA & UPJOHN S.p.A. (IT) | 1997-09-17 | — | — | EP | claimed |
| EP-0795556-A1 | 4-Substituted pyrrolopyrimidine compounds as tyrosin kinase inhibitors | PHARMACIA & UPJOHN S.p.A. (IT) | 1997-09-17 | — | — | EP | disclosed |