Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| Pyrrolidine SCHEMBL21806662 | 0.93 | MAPK1 (0.43) | CXCR4SMN1; SMN2MAPK1CYP2C9LMNA | |
| Piperidine SCHEMBL23701649 | 0.91 | ALDH1A1 (0.43) | CXCR4SMN1; SMN2MAPK1CYP2C9LMNA | |
| SCHEMBL14434380 | 0.82 | — | — | |
| SCHEMBL22311884 | 0.82 | — | — | |
| SCHEMBL44881 | 0.82 | — | — | |
| SCHEMBL12955575 | 0.82 | — | — | |
| SCHEMBL44882 | 0.82 | — | — | |
| SCHEMBL9595459 | 0.79 | LMNA (0.42) | MAPK1CYP2C9LMNATSHRTDP1 | |
| Hydrochloric Acid SCHEMBL16245107 | 0.79 | MAPK1 (0.52) | MAPK1CYP2C9LMNATDP1HTR6 | |
| Iodide SCHEMBL5266075 | 0.79 | MAPK1 (0.52) | MAPK1CYP2C9LMNA |
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-1838718-A1 | PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS | Pfizer, Inc. (US) | 2007-10-03 | — | — | EP | disclosed |
| WO-2006072831-A1 | PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS | PFIZER INC. (US) | 2006-07-13 | — | — | WO | disclosed |