Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.79 |
| ▸ | CA12 | O43570 | 3/20 | 0.79 |
| ▸ | CA1 | P00915 | 3/20 | 0.79 |
| ▸ | CA2 | P00918 | 3/20 | 0.79 |
| ▸ | CA7 | P43166 | 3/20 | 0.79 |
| ▸ | CA9 | Q16790 | 3/20 | 0.79 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.79 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.79 |
| ▸ | LMNA | P02545 | 3/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | NPC1 | O15118 | 3/20 | 0.61 |
| ▸ | RAB9A | P51151 | 3/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.59 |
| ▸ | KDR | P35968 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| Ethylparaben SCHEMBL28942331 | 0.93 | ESR1 (0.85) | ESR1CA12CA1CA2CA7 | |
| Ethylparaben SCHEMBL28326875 | 0.93 | ESR1 (0.92) | ESR1CA12CA1CA2CA7 | |
| Ethyl Benzoate SCHEMBL28306600 | 0.91 | ESR1 (0.81) | ESR1CA12CA1CA2CA7 | |
| Ethyl Benzoate SCHEMBL28306601 | 0.91 | ESR1 (0.81) | ESR1CA12CA1CA2CA7 | |
| Ethylparaben SCHEMBL28027748 | 0.91 | CA12 (0.89) | ESR1CA12CA1CA2CA7 | |
| Ethyl Benzoate SCHEMBL4453739 | 0.89 | RAB9A (0.64) | ESR1CA12CA1CA2CA7 | |
| Ethylparaben SCHEMBL28368 | 0.89 | CA12 (1.00) | ESR1CA12CA1CA2CA7 | |
| Ethylparaben SCHEMBL5311680 | 0.89 | CA12 (1.00) | ESR1CA12CA1CA2CA7 | |
| Propylparaben SCHEMBL8427362 | 0.89 | ALDH1A1 (0.78) | ESR1CA12CA1CA2CA7 | |
| Ethylparaben SCHEMBL28629919 | 0.88 | ESR1 (0.77) | ESR1CA12CA1CA2CA7 |
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-2590722-A1 | CHROMATOGRAPHY METHODS | Ironstone Separations, Inc. (US) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012030432-A1 | CHROMATOGRAPHY METHODS | IRONSTONE SEPARATIONS, INC. (US) | 2012-03-08 | — | — | WO | disclosed |