Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29647628 | 0.88 | ALDH1A1 (0.54) | ALDH1A1TSHRCYP3A4CASP1RECQL | |
| SCHEMBL374790 | 0.88 | ALDH1A1 (0.54) | ALDH1A1TSHRCYP3A4CASP1RECQL | |
| Water SCHEMBL28687154 | 0.86 | ALDH1A1 (0.52) | ALDH1A1TSHRCYP3A4CASP1RECQL | |
| Hydrochloric Acid SCHEMBL55144 | 0.86 | ALDH1A1 (0.52) | ALDH1A1TSHRCYP3A4CASP1RECQL | |
| Hydrochloric Acid SCHEMBL30469303 | 0.86 | ALDH1A1 (0.52) | ALDH1A1TSHRCYP3A4CASP1RECQL | |
| Hydrochloric Acid SCHEMBL374925 | 0.86 | ALDH1A1 (0.52) | ALDH1A1TSHRCYP3A4CASP1RECQL | |
| SCHEMBL16943156 | 0.79 | MAPT (0.42) | ALDH1A1TSHRCYP3A4CASP1RECQL | |
| SCHEMBL13815383 | 0.78 | MAPT (0.47) | ALDH1A1TSHRCYP3A4CASP1RECQL | |
| SCHEMBL19667909 | 0.77 | CYP3A4 (0.54) | ALDH1A1TSHRCYP3A4CASP1RECQL | |
| Sulfuric Acid SCHEMBL9277102 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TSHRCYP3A4CASP1RECQL |
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-0819000-B1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2009-07-08 | — | — | EP | disclosed |