Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.44 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.39 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.39 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11429956 | 0.78 | ALDH1A1 (0.38) | KMT2ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL27697949 | 0.78 | CA12 (0.53) | KMT2ACA12CA1CA2CA7 | |
| SCHEMBL11414736 | 0.73 | CYP3A4 (0.50) | NR1H2NR1H3KMT2ACA12CA1 | |
| SCHEMBL11719826 | 0.71 | ALDH1A1 (0.52) | NR1H2NR1H3KMT2ACA12CA1 | |
| SCHEMBL22083904 | 0.71 | CYP3A4 (0.50) | NR1H2NR1H3CA12CA1CA2 | |
| SCHEMBL11425470 | 0.71 | CA12 (0.50) | KMT2ACA12CA1CA2CA7 | |
| SCHEMBL11415193 | 0.71 | MAPT (0.41) | NR1H2NR1H3KMT2ACYP3A4SMN1; SMN2 | |
| SCHEMBL14062035 | 0.70 | CYP2C9 (0.51) | NR1H2NR1H3KMT2ACA12CA1 | |
| SCHEMBL571273 | 0.70 | CYP3A4 (0.61) | NR1H2NR1H3CA12CA1CA2 | |
| SCHEMBL1062191 | 0.70 | ALDH1A1 (0.71) | NR1H2NR1H3KMT2AATMSMN1; SMN2 |
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-4182877-A | ONE STEP CYCLIZATION OF UNSATURATED AMINO ACID, PHOSPHORUS OXYCHLORIDE | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) | 1980-01-08 | — | — | US | disclosed |