Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL245901 | 0.97 | ADRB2 (0.41) | ADRB2ADRB1ADRB3TSHRCYP3A4 | |
| SCHEMBL9124092 | 0.89 | ADRB2 (0.39) | ADRB2ADRB1ADRB3TSHRCYP3A4 | |
| SCHEMBL11506574 | 0.82 | ADRB2 (0.35) | ADRB2ADRB1ADRB3TSHRCYP3A4 | |
| SCHEMBL11756259 | 0.80 | ADRB2 (0.41) | ADRB2ADRB1ADRB3TSHRCYP3A4 | |
| SCHEMBL3632122 | 0.79 | — | — | |
| SCHEMBL1817034 | 0.79 | DNM1 (0.40) | TSHRALDH1A1CA1CA2DNM1 | |
| SCHEMBL4271908 | 0.79 | DNM1 (0.40) | TSHRALDH1A1CA1CA2DNM1 | |
| SCHEMBL8432806 | 0.79 | DNM1 (0.40) | TSHRALDH1A1CA1CA2DNM1 | |
| SCHEMBL4275153 | 0.79 | DNM1 (0.40) | TSHRALDH1A1CA1CA2DNM1 | |
| SCHEMBL10384073 | 0.79 | DNM1 (0.40) | TSHRALDH1A1CA1CA2DNM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100292449-A1 | WATER-STABLE COMPOUNDS, CATALYSTS AND CATALYSED REACTIONS | JOHNSON MATTHEY PLC (GB) | 2010-11-18 | — | — | US | disclosed |
| EP-2162213-A1 | WATER-STABLE COMPOUNDS, CATALYSTS AND CATALYSED REACTIONS | Johnson Matthey PLC (GB) | 2010-03-17 | — | — | EP | disclosed |
| WO-2008155568-A1 | WATER-STABLE COMPOUNDS, CATALYSTS AND CATALYSED REACTIONS | JOHNSON MATTHEY PLC (GB) | 2008-12-24 | — | — | WO | disclosed |