Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ERN1 | O75460 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.34 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | SELL | P14151 | 1/20 | 0.32 |
| ▸ | SELP | P16109 | 1/20 | 0.32 |
| ▸ | SELE | P16581 | 1/20 | 0.32 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28418499 | 0.86 | ERN1 (0.46) | ALDH1A1KDM4ELMNAGAAMAPT | |
| SCHEMBL1347873 | 0.78 | ALDH1A1 (0.58) | ALDH1A1KDM4ELMNAGAAMAPT | |
| SCHEMBL23887046 | 0.78 | ERN1 (0.39) | ALDH1A1KDM4EERN1AMY1AHSPA5 | |
| SCHEMBL3642048 | 0.78 | ERN1 (0.36) | GAAERN1GABRA1GABRB2CA1 | |
| SCHEMBL9663590 | 0.76 | ALDH1A1 (0.56) | ALDH1A1KDM4ELMNAGAAMAPT | |
| SCHEMBL1348624 | 0.76 | AMY1A (0.57) | ALDH1A1KDM4ELMNAGAAMAPT | |
| SCHEMBL4385600 | 0.75 | TDP1 (0.48) | ALDH1A1ALOX15HSD17B10SMN1; SMN2CA1 | |
| Hydrochloric Acid SCHEMBL7420110 | 0.73 | TDP1 (0.46) | ALDH1A1ALOX15HSD17B10SMN1; SMN2CA1 | |
| SCHEMBL14163474 | 0.72 | ALDH1A1 (0.75) | ALDH1A1KDM4ELMNAGAAMAPT | |
| SCHEMBL3378789 | 0.71 | MMP2 (0.44) | ALDH1A1MAPTERN1ALOX15HSD17B10 |
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-2209790-A2 | EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS | Janssen Pharmaceutica, N.V. (BE) | 2010-07-28 | — | — | EP | disclosed |
| WO-2009062990-A2 | EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2009-05-22 | — | — | WO | disclosed |