Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | AXL | P30530 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | APAF1 | O14727 | 1/20 | 0.32 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL27982658 | 0.83 | CYP3A4 (0.48) | ALDH1A1CYP3A4TSHRTDP1PIK3CA | |
| SCHEMBL580651 | 0.81 | CYP3A4 (0.46) | ALDH1A1CYP3A4TSHRTDP1PIK3CA | |
| SCHEMBL145182 | 0.79 | ALDH1A1 (0.39) | ALDH1A1CYP3A4TSHRTDP1PIK3CA | |
| SCHEMBL1003086 | 0.79 | CYP3A4 (0.44) | ALDH1A1CYP3A4TSHRTDP1PIK3CA | |
| SCHEMBL30238695 | 0.79 | ALDH1A1 (0.42) | ALDH1A1CYP3A4TSHRTDP1PIK3CA | |
| SCHEMBL29901155 | 0.79 | ALDH1A1 (0.39) | ALDH1A1CYP3A4TSHRTDP1PIK3CA | |
| SCHEMBL338060 | 0.77 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL23153960 | 0.75 | CYP3A4 (0.36) | ALDH1A1CYP3A4TSHRTDP1PIK3CA | |
| SCHEMBL19406096 | 0.75 | ALDH1A1 (0.36) | ALDH1A1CYP3A4TSHRTDP1PIK3CA | |
| SCHEMBL10989330 | 0.75 | ALDH1A1 (0.38) | ALDH1A1CYP3A4TSHRTDP1PIK3CA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011097491-A1 | BENZIMIDAZOLE ANTIVIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2011-08-11 | — | — | WO | disclosed |