Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.41 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 1/20 | 0.30 |
| ▸ | PLCG1 | P19174 | 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 | |
|---|---|---|---|---|
| Pyrazine SCHEMBL27517504 | 0.88 | ALDH1A1 (0.43) | ALDH1A1LMNAMAPTPKMMAPK1 | |
| SCHEMBL217939 | 0.80 | ALDH1A1 (0.38) | ALDH1A1LMNAMAPTPKMMAPK1 | |
| SCHEMBL29350921 | 0.80 | ALDH1A1 (0.38) | ALDH1A1LMNAMAPTPKMMAPK1 | |
| Pyrazine SCHEMBL1428283 | 0.71 | TSHR (0.54) | ALDH1A1 | |
| Pyrimidine SCHEMBL1766109 | 0.67 | TSHR (0.46) | ALDH1A1 | |
| Pyrimidine SCHEMBL251837 | 0.67 | — | — | |
| Pyrimidine SCHEMBL28329992 | 0.67 | TSHR (0.46) | ALDH1A1 | |
| Pyrimidine SCHEMBL27488211 | 0.67 | — | — | |
| Pyrimidine SCHEMBL6978952 | 0.66 | — | — | |
| Pyrimidine SCHEMBL3502117 | 0.66 | — | — |
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-0991468-A1 | HOMOGENEOUS OXIDATION CATALYSIS USING METAL COMPLEXES | CARNEGIE-MELLON UNIVERSITY (US) | 2000-04-12 | — | — | EP | disclosed |
| WO-1998058735-A1 | HOMOGENEOUS OXIDATION CATALYSIS USING METAL COMPLEXES | CARNEGIE MELLON UNIVERSITY (US) | 1998-12-30 | — | — | WO | disclosed |