Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7998184 | 0.98 | TSHR (0.39) | TSHRGABRA1GABRB2PTGS2POLB | |
| SCHEMBL8002056 | 0.83 | TSHR (0.38) | TSHRGABRA1GABRB2PTGS2POLB | |
| SCHEMBL7984603 | 0.78 | TSHR (0.39) | TSHRGABRA1GABRB2POLB | |
| SCHEMBL7996417 | 0.78 | HDAC3 (0.41) | TSHRPTGS2 | |
| SCHEMBL7998188 | 0.76 | TSHR (0.40) | TSHRGABRA1GABRB2POLB | |
| SCHEMBL7984599 | 0.75 | TSHR (0.37) | TSHRGABRA1GABRB2POLB | |
| SCHEMBL8002012 | 0.73 | PTGS2 (0.58) | PTGS2 | |
| SCHEMBL8002067 | 0.72 | POLB (0.44) | TSHRGABRA1GABRB2POLB | |
| SCHEMBL8868184 | 0.72 | GABBR2 (0.38) | TSHRGABRA1GABRB2POLB | |
| SCHEMBL9623317 | 0.70 | TSHR (0.48) | TSHRGABRA1GABRB2POLB |
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 |