Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.60 |
| ▸ | HAVCR2 | Q8TDQ0 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | GABRP | O00591 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.42 |
| ▸ | GABRE | P78334 | 1/20 | 0.42 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.42 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11547087 | 0.89 | ADORA3 (0.60) | ADORA3HAVCR2HSD17B10TP53SMN1; SMN2 | |
| SCHEMBL11543150 | 0.84 | ADORA3 (0.81) | ADORA3HAVCR2HSD17B10SMN1; SMN2GABRP | |
| SCHEMBL11543348 | 0.77 | ADORA3 (0.61) | ADORA3HAVCR2HSD17B10GABRPGABRD | |
| SCHEMBL11248839 | 0.74 | ADORA3 (0.48) | ADORA3HAVCR2HSD17B10GABRPGABRD | |
| SCHEMBL28313337 | 0.72 | HAVCR2 (0.51) | ADORA3HAVCR2HSD17B10TP53SMN1; SMN2 | |
| SCHEMBL11255156 | 0.71 | ADORA3 (0.76) | ADORA3 | |
| Acetone SCHEMBL11543246 | 0.70 | ADORA3 (0.74) | ADORA3 | |
| SCHEMBL13995844 | 0.70 | ADORA3 (0.61) | ADORA3HSD17B10SMN1; SMN2PDE3BPDE3A | |
| SCHEMBL11541951 | 0.70 | HAVCR2 (0.52) | ADORA3HAVCR2HSD17B10TP53SMN1; SMN2 | |
| SCHEMBL11623219 | 0.69 | ADORA3 (0.53) | ADORA3HAVCR2HSD17B10GABRPGABRD |
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-4179561-A | REACTING A 3-DIAZOOXINDOLE WITH A SUBSTITUTED ACETYLENE | E. R. SQUIBB & SONS, INC. (US) | 1979-12-18 | — | — | US | disclosed |
| US-4112096-A | ANTIALLERGENS | E. R. SQUIBB & SONS, INC. (US) | 1978-09-05 | — | — | US | disclosed |
| US-4076818-A | ANTIALLERGENS | E. R. SQUIBB & SONS, INC. (US) | 1978-02-28 | — | — | US | disclosed |