Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EED | O75530 | 3/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | CMA1 | P23946 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.43 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | AGXT | P21549 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11310048 | 1.00 | EED (0.50) | EEDHTR1ASLC6A4CMA1ALDH1A1 | |
| SCHEMBL4701393 | 0.81 | ALDH1A1 (0.45) | ALDH1A1CYP19A1POLB | |
| SCHEMBL30894527 | 0.79 | CYP3A4 (0.55) | ALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL12446356 | 0.79 | CYP3A4 (0.55) | ALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL28044264 | 0.79 | CYP3A4 (0.55) | ALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL28044179 | 0.79 | CYP3A4 (0.55) | ALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL28330978 | 0.78 | CYP19A1 (0.57) | LTB4RLTB4R2CYP19A1TAAR1 | |
| SCHEMBL28332417 | 0.78 | CHRM5 (0.41) | LTB4RLTB4R2CYP19A1 | |
| SCHEMBL28330990 | 0.78 | CHRM5 (0.41) | LTB4RLTB4R2CYP19A1 | |
| SCHEMBL11306993 | 0.78 | CYP3A4 (0.63) | EEDHTR1ASLC6A4CMA1ALDH1A1 |
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 |