Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | NPY1R | P25929 | 1/20 | 0.47 |
| ▸ | NPY2R | P49146 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL20402989 | 0.85 | BCHE (0.55) | ABCB1BCHEABCG2RAB9AHTT | |
| SCHEMBL20386133 | 0.85 | BCHE (0.55) | ABCB1BCHEABCG2RAB9AHTT | |
| SCHEMBL6829955 | 0.81 | MEN1 (0.50) | BCHERAB9AALDH1A1MAPTKMT2A | |
| SCHEMBL20587063 | 0.80 | MMP1 (0.58) | ABCB1BCHEABCG2RAB9AKMT2A | |
| SCHEMBL22027685 | 0.80 | MMP1 (0.58) | ABCB1BCHEABCG2RAB9AKMT2A | |
| SCHEMBL20386132 | 0.80 | MMP1 (0.58) | ABCB1BCHEABCG2RAB9AKMT2A | |
| SCHEMBL20402964 | 0.80 | MMP1 (0.58) | ABCB1BCHEABCG2RAB9AKMT2A | |
| SCHEMBL22807567 | 0.80 | MMP1 (0.52) | BCHERAB9AKMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL3411267 | 0.79 | RAB9A (0.60) | ABCB1ABCG2RAB9AHTTALDH1A1 | |
| SCHEMBL6924181 | 0.77 | TAAR1 (0.50) | ABCB1ABCG2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004069774-A2 | SYNTHESIS OF 13C-LABELLED ESTROGEN ANALOGUES | THE UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) | 2004-08-19 | — | — | WO | disclosed |