Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CYTH2 | Q99418 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL5175941 | 0.79 | CYP3A4 (0.42) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL11349696 | 0.77 | CYP3A4 (0.42) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL11347730 | 0.77 | CYP3A4 (0.46) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL11351849 | 0.77 | ACHE (0.34) | CYP3A4ALOX15ACHEALDH1A1 | |
| SCHEMBL11345871 | 0.74 | PTPN1 (0.38) | CYP3A4ALOX15MEN1KMT2AESR2 | |
| SCHEMBL11358453 | 0.74 | ALDH1A1 (0.40) | CYP3A4ALDH1A1MEN1KMT2AGAA | |
| SCHEMBL10606008 | 0.72 | CYP3A4 (0.37) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL11356821 | 0.72 | ESR2 (0.46) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL11365534 | 0.71 | NQO1 (0.38) | CYP3A4ALOX15ALDH1A1MEN1KMT2A | |
| SCHEMBL5710060 | 0.71 | PTGS2 (0.46) | CYP3A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0001910-B1 | PREPARATION OF 4,4'-DIHYDROXY STILBENES OR DERIVATIVES THEREOF | MONSANTO COMPANY (US) | 1981-09-02 | — | — | EP | disclosed |
| EP-0001909-B1 | PREPARATION OF 1,2-BIS(4-HYDROXYARYL)ETHANES BY ONE-STEP DEHYDROHALOGENATION-REARRANGEMENT-HYDROGENATION OF 1,1-BIS(4-HYDROXYARYL)-2-HALOETHANES, WHICH MAY BE FOLLOWED BY ACYLATION | MONSANTO COMPANY (US) | 1981-08-12 | — | — | EP | disclosed |
| US-4189610-A | Preparation of 4,4-dioxy-substituted stilbenes | MONSANTO COMPANY (US) | 1980-02-19 | — | — | US | disclosed |
| US-4156787-A | HYDROGENATION CATALYST | MONSANTO COMPANY (US) | 1979-05-29 | — | — | US | disclosed |
| EP-0001910-A1 | Preparation of 4,4'-dihydroxy stilbenes or derivatives thereof | MONSANTO COMPANY (US) | 1979-05-16 | — | — | EP | disclosed |
| EP-0001909-A1 | Preparation of 1,2-bis(4-hydroxyaryl)ethanes by one-step dehydrohalogenation-rearrangement-hydrogenation of 1,1-bis(4-hydroxyaryl)-2-haloethanes, which may be followed by acylation | MONSANTO COMPANY (US) | 1979-05-16 | — | — | EP | disclosed |