Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 2/20 | 0.43 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 2/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | TYMS | P04818 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4750224 | 0.92 | ITGB1 (0.44) | ITGB1ITGA4ATML3MBTL1ELANE | |
| SCHEMBL4750220 | 0.92 | ITGB1 (0.44) | ITGB1ITGA4ATML3MBTL1ELANE | |
| SCHEMBL6131686 | 0.82 | PPID (0.41) | ITGB1ITGA4NPSR1ELANEPPARG | |
| SCHEMBL6131684 | 0.82 | PPID (0.41) | ITGB1ITGA4NPSR1ELANEPPARG | |
| SCHEMBL6131690 | 0.80 | PPID (0.34) | ITGB1ITGA4KMT2ANPSR1ELANE | |
| SCHEMBL6131691 | 0.79 | CTSC (0.34) | ITGB1ITGA4 | |
| SCHEMBL3834182 | 0.78 | ITGA4 (0.45) | ITGB1ITGA4 | |
| SCHEMBL6532346 | 0.78 | ITGB1 (0.41) | ITGB1ITGA4KMT2ANPSR1L3MBTL1 | |
| SCHEMBL4739197 | 0.78 | ITGB1 (0.38) | ITGB1ITGA4CYP2C9 | |
| SCHEMBL4737637 | 0.78 | ITGB1 (0.42) | ITGB1ITGA4ELANENLRP3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008064830-A1 | BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR PHARMACEUTICAL USES | UCB PHARMA, S.A. (BE) | 2008-06-05 | — | — | WO | claimed |
| WO-2008064830-A1 | BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR PHARMACEUTICAL USES | UCB PHARMA, S.A. (BE) | 2008-06-05 | — | — | WO | disclosed |