Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | SLC6A1 | P30531 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2707889 | 0.88 | S1PR5 (0.43) | ALDH1A1CYP1A2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL22465761 | 0.86 | SMN1; SMN2 (0.44) | ALDH1A1LMNACYP1A2SMN1; SMN2 | |
| SCHEMBL18231576 | 0.83 | BCHE (0.58) | ALDH1A1LMNAHSD17B10SMN1; SMN2 | |
| SCHEMBL28959996 | 0.81 | BCHE (0.55) | CYP1A2CYP2D6CYP2C9TSHRNFKB1 | |
| SCHEMBL3865049 | 0.81 | SLC6A1 (0.55) | ALDH1A1SLC6A1LMNACYP1A2CYP2D6 | |
| SCHEMBL740141 | 0.81 | SMN1; SMN2 (0.54) | ALDH1A1SLC6A1LMNACYP1A2CYP2D6 | |
| SCHEMBL1609328 | 0.81 | SMN1; SMN2 (0.54) | ALDH1A1SLC6A1LMNACYP1A2CYP2D6 | |
| SCHEMBL771607 | 0.81 | SMN1; SMN2 (0.54) | ALDH1A1SLC6A1LMNACYP1A2CYP2D6 | |
| SCHEMBL4899707 | 0.81 | ALDH1A1 (0.50) | ALDH1A1SLC6A1LMNACYP1A2CYP2D6 | |
| SCHEMBL21047314 | 0.79 | KDM2B (0.57) | — |
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-1901747-A2 | PYRIMIDINE-BASED CDK INHIBITORS FOR TREATING PAIN | Ingenium Pharmaceuticals AG (DE) | 2008-03-26 | — | — | EP | disclosed |
| WO-2006125616-A2 | PYRIMIDINE-BASED CDK INHIBITORS FOR TREATING PAIN | INGENIUM PHARMACEUTICALS AG (DE) | 2006-11-30 | — | — | WO | disclosed |