Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL132243 | 0.72 | TSHR (0.32) | GABRR1TSHRMAPK1HSD17B10TDP1 | |
| Cyanide SCHEMBL22191188 | 0.71 | TSHR (0.30) | TSHRMAPK1HSD17B10TDP1 | |
| Fluoride SCHEMBL22206791 | 0.70 | TSHR (0.32) | TSHRMAPK1HSD17B10TDP1 | |
| Hydrochloric Acid SCHEMBL134284 | 0.70 | THRB (0.34) | TSHRMAPK1HSD17B10TDP1 | |
| Bromide SCHEMBL22206792 | 0.70 | TSHR (0.32) | TSHRMAPK1HSD17B10TDP1 | |
| SCHEMBL5582034 | 0.68 | TSHR (0.30) | TSHRMAPK1HSD17B10TDP1 | |
| SCHEMBL5678148 | 0.68 | TSHR (0.30) | TSHRMAPK1HSD17B10TDP1 | |
| SCHEMBL5680158 | 0.68 | TSHR (0.30) | TSHRMAPK1HSD17B10TDP1 | |
| SCHEMBL10564437 | 0.67 | — | — | |
| SCHEMBL22206793 | 0.67 | PARP1 (0.30) | — |
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-4614770-A | HYDROCYANATION OF CARBONYL, THIOCARBONYL OR IMINO GROUPS; POLYMERS BEARING PYRIDINE-NUCLEUS RING SUBSTITUTED BY CARBOXAMIDE GROUPS | ALLIED CORPORATION (US) | 1986-09-30 | — | — | US | disclosed |