Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HMGCR | P04035 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | TNFSF11 | O14788 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL11776707 | 0.82 | ALDH1A1 (0.50) | HTTCYP3A4ALDH1A1HPGDTDP1 | |
| SCHEMBL11777597 | 0.77 | ALDH1A1 (0.42) | CYP3A4ALDH1A1HPGDTDP1KDM4E | |
| SCHEMBL11777134 | 0.77 | ALDH1A1 (0.42) | CYP3A4ALDH1A1HPGDTDP1KDM4E | |
| SCHEMBL11836307 | 0.71 | CYP3A4 (0.43) | HTTCYP3A4HPGDMAPK1HMGCR | |
| SCHEMBL30809625 | 0.70 | BCHE (0.34) | CYP3A4ALDH1A1HPGDMAPK1KDM4E | |
| SCHEMBL30809623 | 0.70 | BCHE (0.34) | CYP3A4ALDH1A1HPGDMAPK1KDM4E | |
| SCHEMBL30398255 | 0.70 | HTT (1.00) | HTTCYP3A4ALDH1A1HPGDMAPK1 | |
| SCHEMBL3661837 | 0.70 | HTT (1.00) | HTTCYP3A4ALDH1A1HPGDMAPK1 | |
| SCHEMBL30777898 | 0.67 | CYP1A2 (0.38) | CYP3A4ALDH1A1HPGDTDP1MAPK1 | |
| SCHEMBL14780513 | 0.65 | HTT (0.81) | HTTCYP3A4ALDH1A1HPGDMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-3998962-A | ANTIALLERGEN | BOEHRINGER INGELHEIM GMBH (DT) | 1976-12-21 | — | — | US | disclosed |