Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | HTR2B | P41595 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 4/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2028079 | 0.80 | CYP3A4 (0.42) | CYP3A4ALOX15CHRM1MAOATBXA2R | |
| SCHEMBL476694 | 0.76 | CYP3A4 (0.58) | CYP3A4ALOX15CHRM1MAOATBXA2R | |
| SCHEMBL10820980 | 0.75 | ALDH1A1 (0.50) | CYP3A4ALOX15CHRM1MAOATBXA2R | |
| Dichloroxylenol SCHEMBL574277 | 0.75 | ALDH1A1 (0.61) | CYP3A4ALOX15CHRM1MAOATBXA2R | |
| Dichloroxylenol SCHEMBL29367847 | 0.75 | ALDH1A1 (0.61) | CYP3A4ALOX15CHRM1MAOATBXA2R | |
| SCHEMBL69908 | 0.75 | CYP3A4 (0.75) | CYP3A4ALOX15CHRM1MAOATBXA2R | |
| SCHEMBL7915105 | 0.74 | CYP3A4 (0.50) | CYP3A4ALOX15CHRM1MAOATBXA2R | |
| Dichloroxylenol SCHEMBL28046030 | 0.73 | ALDH1A1 (0.59) | CYP3A4ALOX15CHRM1MAOATBXA2R | |
| SCHEMBL1286188 | 0.73 | MAPT (0.48) | CYP3A4ALOX15CHRM1MAOATBXA2R | |
| SCHEMBL242037 | 0.73 | MAPT (0.59) | CYP3A4ALOX15CHRM1MAOATBXA2R |
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 |
|---|---|---|---|---|---|---|---|
| US-4158027-A | BIPHENOL DERIVATIVES USED AS POLYMERIZATION INHIBITORS | ICI AMERICAS INC. (US) | 1979-06-12 | — | — | US | disclosed |
| US-4112019-A | BISPHENOL POLYMERIZATION INHIBITOR | ICI AMERICAS INC. (US) | 1978-09-05 | — | — | US | disclosed |
| US-4049731-A | VINYL MONOMERS, BIPHENOL DERIVATIVE AS POLYMERIZATION INHIBITOR | ICI UNITED STATES INC. (US) | 1977-09-20 | — | — | US | disclosed |