Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15073423 | 0.87 | CYP2D6 (0.57) | CYP2D6TRPA1TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL23723780 | 0.80 | RCE1 (0.50) | CYP2D6RCE1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL16827022 | 0.79 | RCE1 (0.53) | CYP2D6RCE1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL21458529 | 0.79 | RCE1 (0.53) | CYP2D6RCE1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL23998026 | 0.77 | TSHR (0.48) | CYP2D6TRPA1TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL2554445 | 0.77 | TAAR1 (0.52) | CYP2D6TRPA1TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL7846066 | 0.76 | CYP2D6 (0.50) | CYP2D6TRPA1TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL7332513 | 0.76 | CYP2D6 (0.50) | CYP2D6TRPA1TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL14461636 | 0.75 | RCE1 (0.49) | CYP2D6TRPA1TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL12169870 | 0.75 | TRPA1 (0.53) | CYP2D6TRPA1TAAR1SLC6A2SIGMAR1 |
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 |