Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 6/20 | 0.43 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | AGXT | P21549 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL11559158 | 0.79 | TAAR1 (0.57) | TAAR1IDO1AGXTCYP1A2TSHR | |
| SCHEMBL14402436 | 0.77 | TAAR1 (0.55) | TAAR1IDO1AGXTCYP1A2TSHR | |
| SCHEMBL6921091 | 0.77 | ABCB1 (0.49) | ABCB1ABCG2CYP1A2 | |
| SCHEMBL17747360 | 0.76 | TAAR1 (0.54) | TAAR1IDO1AGXTCYP1A2TSHR | |
| SCHEMBL17747363 | 0.76 | TAAR1 (0.54) | TAAR1IDO1AGXTCYP1A2TSHR | |
| SCHEMBL28114893 | 0.75 | TAAR1 (0.43) | TAAR1CYP1A2TSHRSLC6A2SLC6A4 | |
| SCHEMBL7131704 | 0.75 | TAAR1 (0.52) | TAAR1ABCB1SCN8APOLBABCG2 | |
| Hydrochloric Acid SCHEMBL3487556 | 0.74 | TAAR1 (0.51) | TAAR1ABCB1SCN8APOLBABCG2 | |
| SCHEMBL24925835 | 0.73 | TAAR1 (0.67) | TAAR1IDO1AGXTCYP1A2TSHR | |
| SCHEMBL7510484 | 0.73 | TAAR1 (0.62) | TAAR1IDO1AGXTCYP1A2TSHR |
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 |