Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | GRIA2 | P42262 | 3/20 | 0.36 |
| ▸ | GRIA4 | P48058 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.34 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.34 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6137118 | 0.88 | HTT (0.43) | ELANECYP2C9MAPTHTTALDH1A1 | |
| SCHEMBL6608315 | 0.88 | ELANE (0.37) | ELANECYP2C9MAPTALDH1A1MEN1 | |
| SCHEMBL6610688 | 0.84 | DRD2 (0.39) | ELANECYP2C9HTTMEN1KMT2A | |
| SCHEMBL6608080 | 0.84 | ALDH1A1 (0.40) | ELANECYP2C9MAPTHTTALDH1A1 | |
| SCHEMBL6609236 | 0.82 | ELANE (0.45) | ELANECYP2C9TDP1 | |
| SCHEMBL6137166 | 0.82 | KMT2A (0.45) | ELANECYP2C9HTTALDH1A1MEN1 | |
| SCHEMBL6608143 | 0.82 | ALOX5 (0.39) | ELANECYP2C9MAPTMEN1KMT2A | |
| SCHEMBL6608283 | 0.81 | ELANE (0.40) | ELANECYP2C9MAPTALDH1A1MEN1 | |
| SCHEMBL6137365 | 0.81 | ELANE (0.40) | ELANECYP2C9MAPTHTTALDH1A1 | |
| SCHEMBL6608090 | 0.81 | MAPK1 (0.44) | ELANECYP2C9MAPTHTTALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1373223-A4 | CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES | BRISTOL MYERS SQUIBB CO (US) | 2004-09-29 | — | — | EP | disclosed |
| EP-1373223-A1 | CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES | Bristol-Myers Squibb Company (US) | 2004-01-02 | — | — | EP | disclosed |
| WO-2002079169-A1 | CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-10-10 | — | — | WO | disclosed |