Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | VCP | P55072 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | AGXT | P21549 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1009266 | 0.73 | TSHR (0.94) | TSHRIDO1CA1CA2CA7 | |
| SCHEMBL5311581 | 0.71 | TSHR (1.00) | TSHRIDO1CA1CA2CA7 | |
| Benzene SCHEMBL27997624 | 0.71 | TSHR (1.00) | TSHRIDO1CA1CA2CA7 | |
| SCHEMBL27380 | 0.71 | TSHR (1.00) | TSHRIDO1CA1CA2CA7 | |
| Cyclohexane SCHEMBL8149682 | 0.69 | TSHR (0.83) | TSHRIDO1CA1CA2CA7 | |
| SCHEMBL10317949 | 0.69 | TSHR (0.94) | TSHRIDO1CA1CA2CA7 | |
| SCHEMBL9795394 | 0.69 | TSHR (0.94) | TSHRIDO1CA1CA2CA7 | |
| SCHEMBL9491202 | 0.69 | TSHR (0.94) | TSHRIDO1CA1CA2CA7 | |
| Calcium SCHEMBL2864550 | 0.69 | TSHR (0.94) | TSHRIDO1CA1CA2CA7 | |
| Potassium SCHEMBL586337 | 0.69 | TSHR (0.94) | TSHRIDO1CA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2029601-B1 | PYRIDOPYRIMIDINONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2010-06-02 | — | — | EP | disclosed |