Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MMP9 | P14780 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 13/20 | 0.38 |
| ▸ | CA2 | P00918 | 12/20 | 0.38 |
| ▸ | CA9 | Q16790 | 8/20 | 0.36 |
| ▸ | CA12 | O43570 | 4/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.35 |
| ▸ | CA7 | P43166 | 3/20 | 0.35 |
| ▸ | CA3 | P07451 | 2/20 | 0.35 |
| ▸ | CA4 | P22748 | 2/20 | 0.35 |
| ▸ | CA6 | P23280 | 2/20 | 0.35 |
| ▸ | CA5A | P35218 | 2/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23136946 | 0.88 | USP2 (0.46) | TSHRKDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL15870620 | 0.82 | TSHR (0.46) | TSHRKDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL24490899 | 0.82 | KDM5A (0.37) | TSHRCA1CA2CA9CA12 | |
| SCHEMBL22049056 | 0.81 | TSHR (0.45) | TSHRKDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL5376935 | 0.79 | ALDH1A1 (0.64) | TSHRKDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL14497716 | 0.78 | USP2 (0.55) | TSHRKDM4EUSP2ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL2285973 | 0.77 | TSHR (0.61) | TSHRKDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL372403 | 0.75 | — | — | |
| SCHEMBL29002519 | 0.75 | TSHR (0.74) | TSHRKDM4EUSP2ALDH1A1LMNA | |
| Trimethylammonium SCHEMBL3084294 | 0.75 | TSHR (0.65) | TSHRKDM4EUSP2ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-9475775-B2 | Benzazepine dicarboxamide compounds | HOFFMANN-LA ROCHE INC. (US) | 2016-10-25 | — | — | US | disclosed |