Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | BCL6 | P41182 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 2/20 | 0.37 |
| ▸ | AKT1 | P31749 | 2/20 | 0.37 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | KIT | P10721 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7830469 | 0.78 | CYP1A2 (0.42) | SMYD3MAOBAHRPDE3BPDE3A | |
| SCHEMBL7833822 | 0.77 | NEK2 (0.44) | SMYD3MAP3K11MAOBAHRPDE3B | |
| SCHEMBL8928889 | 0.77 | JAK3 (0.42) | — | |
| SCHEMBL8929171 | 0.75 | BCL6 (0.60) | BCL6PTK2 | |
| Hydrochloric Acid SCHEMBL8929519 | 0.74 | BCL6 (0.58) | BCL6PTK2 | |
| SCHEMBL8929278 | 0.74 | TRPA1 (0.56) | MAOBKDRMET | |
| SCHEMBL7822712 | 0.74 | MAOB (0.39) | SMYD3MAP3K11MAOBAHRPDE3B | |
| SCHEMBL8929550 | 0.71 | CYP17A1 (0.42) | MAP3K11KDR | |
| SCHEMBL3574516 | 0.70 | AHR (0.50) | SMYD3MAOBAHRPDE3BPDE3A | |
| SCHEMBL8929582 | 0.70 | CDC7 (0.57) | PTK2KDRMET |
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 |