Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.40 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7996303 | 1.00 | TSHR (0.41) | TSHRCYSLTR2CYSLTR1CYP3A4CYP2C9 | |
| SCHEMBL7996175 | 0.98 | TSHR (0.42) | TSHRCYSLTR2CYSLTR1CYP3A4CYP2C9 | |
| SCHEMBL6535031 | 0.94 | TSHR (0.43) | TSHRCYSLTR2CYSLTR1CYP3A4CYP2C9 | |
| SCHEMBL6534996 | 0.88 | TSHR (0.46) | TSHRGABRA1GABRB2 | |
| SCHEMBL9578297 | 0.84 | S1PR1 (0.44) | TSHRCYSLTR2CYSLTR1CYP3A4CYP2C9 | |
| SCHEMBL7984585 | 0.81 | CYSLTR2 (0.42) | TSHRCYSLTR2CYSLTR1CYP3A4CYP2C9 | |
| SCHEMBL7996299 | 0.81 | CYSLTR2 (0.42) | TSHRCYSLTR2CYSLTR1CYP3A4CYP2C9 | |
| SCHEMBL6535102 | 0.81 | TSHR (0.48) | TSHRCYP3A4GABRA1GABRB2ALDH1A1 | |
| SCHEMBL7996169 | 0.79 | TSHR (0.41) | TSHRCYSLTR2CYSLTR1CYP3A4CYP2C9 | |
| SCHEMBL7996240 | 0.79 | PTGS2 (0.56) | CYSLTR2CYSLTR1CYP3A4CYP2C9CYP2C19 |
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-6284918-B1 | ENZYME INHIBITORS | VANDERBILT UNIVERSITY | 2001-09-04 | — | — | US | disclosed |