Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CRHBP | P24387 | 1/20 | 0.30 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.30 |
| ▸ | MCOLN3 | Q8TDD5 | 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 | |
|---|---|---|---|---|
| SCHEMBL17661471 | 1.00 | ALDH1A1 (0.38) | ALDH1A1HPGDCYP2A13IRAK4SMN1; SMN2 | |
| SCHEMBL3516822 | 0.81 | ALDH1A1 (0.45) | ALDH1A1HPGDCYP2A13SMN1; SMN2CRHBP | |
| SCHEMBL8205287 | 0.69 | ALDH1A1 (0.42) | ALDH1A1HPGDCYP2A13SMN1; SMN2CRHBP | |
| SCHEMBL798263 | 0.69 | ALDH1A1 (0.42) | ALDH1A1HPGDCYP2A13SMN1; SMN2CRHBP | |
| SCHEMBL3572313 | 0.69 | ALDH1A1 (0.42) | ALDH1A1HPGDCYP2A13SMN1; SMN2CRHBP | |
| Hydrochloric Acid SCHEMBL30314584 | 0.68 | ALDH1A1 (0.41) | ALDH1A1HPGDCYP2A13SMN1; SMN2CRHBP | |
| SCHEMBL18579960 | 0.67 | ALDH1A1 (0.43) | ALDH1A1HPGDCYP2A13SMN1; SMN2 | |
| SCHEMBL18579959 | 0.67 | ALDH1A1 (0.43) | ALDH1A1HPGDCYP2A13SMN1; SMN2 | |
| SCHEMBL18579961 | 0.67 | ALDH1A1 (0.43) | ALDH1A1HPGDCYP2A13SMN1; SMN2 | |
| SCHEMBL11087886 | 0.66 | ALDH1A1 (0.35) | ALDH1A1HPGDCYP2A13IRAK4 |
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-3200789-A1 | INHIBITORS OF IRAK4 ACTIVITY | Merck Sharp & Dohme Corp. (US) | 2017-08-09 | — | — | EP | disclosed |
| WO-2016053772-A1 | INHIBITORS OF IRAK4 ACTIVITY | MERCK SHARP & DOHME CORP. (US) | 2016-04-07 | — | — | WO | disclosed |