Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9328904 | 0.89 | PTGS2 (0.40) | CYP3A4PTGS2 | |
| SCHEMBL2069687 | 0.86 | ALDH1A1 (0.38) | ALDH1A1TSHRLMNAGAACA1 | |
| SCHEMBL9817596 | 0.82 | HSPA5 (0.50) | ALDH1A1TSHRLMNAGAACA1 | |
| SCHEMBL11661680 | 0.82 | HSPA5 (0.42) | ALDH1A1TSHRLMNAGAACA1 | |
| SCHEMBL8926209 | 0.81 | CA2 (0.38) | ALDH1A1TSHRLMNAGAACA1 | |
| SCHEMBL9328910 | 0.81 | SHBG (0.40) | ALDH1A1TSHRLMNAGAACA1 | |
| SCHEMBL9196467 | 0.81 | CNR2 (0.38) | ESR1PTGS2 | |
| SCHEMBL11027894 | 0.80 | ALDH1A1 (0.42) | ALDH1A1TSHRLMNAGAACA1 | |
| SCHEMBL38917 | 0.80 | CA2 (0.55) | ALDH1A1TSHRLMNAGAACA1 | |
| SCHEMBL5080349 | 0.79 | CA1 (0.60) | ALDH1A1TSHRGAACA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0027426-B1 | A PROCESS FOR PREPARING 3-(3,5-DI-TERT. ALKYL-4-HYDROXYPHENYL)-2,2-DI SUBSTITUTED PRIONALDEHYDES | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1983-04-06 | — | — | EP | disclosed |
| US-4284823-A | Process for preparing 3-(3,5-di-tert.alkyl-4-hydroxy-phenyl)-2,2-di-substituted propionaldehydes | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1981-08-18 | — | — | US | disclosed |
| EP-0027426-A1 | A process for preparing 3-(3,5-di-tert. alkyl-4-hydroxyphenyl)-2,2-di substituted prionaldehydes | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1981-04-22 | — | — | EP | disclosed |