Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 6/20 | 0.42 |
| ▸ | DYRK1B | Q9Y463 | 5/20 | 0.42 |
| ▸ | DYRK2 | Q92630 | 4/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL423755 | 0.91 | ALDH1A1 (0.44) | LMNACYP3A4GAACYP2C9CYP2C19 | |
| SCHEMBL413327 | 0.90 | L3MBTL1 (0.43) | LMNACYP3A4GAACYP2C9CYP2C19 | |
| SCHEMBL26683994 | 0.83 | CRBN (0.50) | LMNACYP3A4GAACYP2C9CYP2C19 | |
| SCHEMBL30688283 | 0.83 | CRBN (0.50) | LMNACYP3A4GAACYP2C9CYP2C19 | |
| SCHEMBL410434 | 0.81 | L3MBTL1 (0.45) | LMNACYP3A4GAACYP2C9CYP2C19 | |
| SCHEMBL410875 | 0.79 | CYP3A4 (0.43) | LMNACYP3A4GAACYP2C9CYP2C19 | |
| SCHEMBL21091414 | 0.77 | GAA (0.57) | LMNACYP3A4GAACYP2C9CYP2C19 | |
| SCHEMBL414419 | 0.77 | DYRK1A (0.42) | LMNACYP3A4GAACYP2C9CYP2C19 | |
| SCHEMBL3785123 | 0.74 | DRD3 (0.44) | LMNACYP3A4GAACYP2C9CYP2C19 | |
| SCHEMBL414418 | 0.74 | LMNA (0.45) | LMNACYP3A4GAACYP2C9CYP2C19 |
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-2408769-A1 | PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS | Glaxo Group Limited (GB) | 2012-01-25 | — | — | EP | disclosed |
| WO-2010106016-A1 | PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS | GLAXO GROUP LIMITED (GB) | 2010-09-23 | — | — | WO | disclosed |