Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9686867 | 0.85 | ESR1 (0.46) | ESR1ESR2ALDH1A1CYP3A4CA12 | |
| SCHEMBL9247753 | 0.82 | SMN1; SMN2 (0.46) | ESR1ALDH1A1PARP1ACHE | |
| SCHEMBL9687402 | 0.78 | CES2 (0.50) | ALDH1A1PARP1 | |
| SCHEMBL3453545 | 0.77 | ESR1 (0.54) | ESR1ESR2ALDH1A1CYP3A4CA12 | |
| SCHEMBL2026598 | 0.74 | HSD17B3 (0.60) | ALDH1A1CA12CA2CA9CA1 | |
| SCHEMBL18636203 | 0.72 | ESR1 (0.47) | ESR1ESR2ALDH1A1CYP3A4CA12 | |
| SCHEMBL9251655 | 0.70 | ESR1 (0.43) | ESR1ESR2ALDH1A1PARP1 | |
| SCHEMBL3621552 | 0.70 | CA12 (0.52) | ALDH1A1CYP3A4CA12CA2CA9 | |
| Resorcinol SCHEMBL11776671 | 0.69 | ALDH1A1 (0.71) | ALDH1A1CYP3A4CA12CA2CA9 | |
| 3-Hydroxybenzoic Acid SCHEMBL29144995 | 0.68 | CA12 (0.80) | ALDH1A1CA12CA2CA9CA1 |
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-5136114-A | PROCESS FOR THE PREPARATION OF GEMINAL DIARYLALKANES, NEW GEMINAL DIARYLALKANES AND ALK(EN)YLATED AROMATIC COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1992-08-04 | — | — | US | disclosed |