Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | APEX1 | P27695 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL4059241 | 0.70 | BACE1 (0.40) | BACE1MMP2MMP9ALDH1A1MEN1 | |
| SCHEMBL14095713 | 0.68 | ALDH1A1 (0.36) | BACE1MMP2MMP9ALDH1A1MEN1 | |
| SCHEMBL13655734 | 0.67 | MAPK1 (0.33) | MMP2MMP9ALDH1A1MEN1KMT2A | |
| SCHEMBL425311 | 0.61 | MEN1 (0.45) | BACE1MMP2MMP9ALDH1A1MEN1 | |
| SCHEMBL3389799 | 0.59 | ALDH1A1 (0.43) | BACE1MMP2MMP9ALDH1A1MEN1 | |
| SCHEMBL5021811 | 0.58 | UGCG (0.40) | ALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL9815309 | 0.58 | MEN1 (0.42) | BACE1MMP2MMP9ALDH1A1MEN1 | |
| SCHEMBL11930003 | 0.57 | CYP19A1 (0.44) | BACE1MMP2MMP9ALDH1A1MEN1 | |
| SCHEMBL10595714 | 0.57 | ALDH1A1 (0.41) | BACE1MMP2MMP9ALDH1A1CYP2C9 | |
| SCHEMBL10170130 | 0.57 | OPRM1 (0.45) | BACE1ALDH1A1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1515724-B1 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2009-10-21 | — | — | EP | disclosed |