Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | COMT | P21964 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 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 | |
|---|---|---|---|---|
| SCHEMBL4738271 | 0.94 | TSHR (0.55) | TSHRGABRA1GABRB2LMNAPOLB | |
| SCHEMBL12610425 | 0.90 | TSHR (0.65) | TSHRGABRA1GABRB2LMNAPOLB | |
| SCHEMBL30295406 | 0.90 | TSHR (0.65) | TSHRGABRA1GABRB2LMNAPOLB | |
| SCHEMBL2990957 | 0.90 | TSHR (0.65) | TSHRGABRA1GABRB2LMNAPOLB | |
| SCHEMBL4981071 | 0.85 | TSHR (0.53) | TSHRGABRA1GABRB2LMNAPOLB | |
| SCHEMBL6690451 | 0.83 | TSHR (0.52) | TSHRGABRA1GABRB2POLBPPARG | |
| SCHEMBL30714953 | 0.83 | TSHR (0.52) | TSHRGABRA1GABRB2POLBPPARG | |
| SCHEMBL22444754 | 0.81 | TSHR (0.50) | TSHRGABRA1GABRB2HTR1APPARG | |
| SCHEMBL22444751 | 0.81 | TSHR (0.50) | TSHRGABRA1GABRB2HTR1APPARG | |
| SCHEMBL8517638 | 0.81 | TSHR (0.50) | TSHRGABRA1GABRB2HTR1APPARG |
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-1991019475-A2 | QUINOLINYL-BENZOHETEROBICYCLIC DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? | RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) | 1991-12-26 | — | — | WO | disclosed |