Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 10/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HAVCR2 | Q8TDQ0 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | GABRP | O00591 | 1/20 | 0.44 |
| ▸ | GABRD | O14764 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.44 |
| ▸ | GABRE | P78334 | 1/20 | 0.44 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.44 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9036763 | 0.81 | ADORA3 (0.67) | ADORA3HAVCR2HSD17B10 | |
| SCHEMBL11620768 | 0.80 | ADORA3 (0.60) | ADORA3HAVCR2HSD17B10 | |
| SCHEMBL11282330 | 0.80 | ADORA3 (0.62) | ADORA3KDM4EALDH1A1POLBHAVCR2 | |
| SCHEMBL11632879 | 0.78 | ADORA3 (0.61) | ADORA3ALDH1A1HAVCR2HSD17B10GABRP | |
| SCHEMBL11255156 | 0.76 | ADORA3 (0.76) | ADORA3 | |
| SCHEMBL11548167 | 0.75 | ADORA3 (0.58) | ADORA3HAVCR2HSD17B10GABRPGABRD | |
| SCHEMBL11548397 | 0.75 | ADORA3 (0.61) | ADORA3HAVCR2HSD17B10GABRPGABRD | |
| Acetone SCHEMBL11543246 | 0.75 | ADORA3 (0.74) | ADORA3 | |
| SCHEMBL11252490 | 0.74 | ADORA3 (0.59) | ADORA3HAVCR2HSD17B10GABRPGABRD | |
| Pirquinozol SCHEMBL635679 | 0.74 | ADORA3 (0.59) | ADORA3ALDH1A1HAVCR2HSD17B10GABRP |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4328342-A | Intermediate quinolin-4-ones | E. R. SQUIBB & SONS, INC. (US) | 1982-05-04 | — | — | US | disclosed |
| US-4303795-A | INTERMEDIATES FOR PYRAZOLO-QUINAZOLINE DERIVATIVES | E. R. SQUIBB & SONS, INC. (US) | 1981-12-01 | — | — | US | disclosed |
| US-4252945-A | 4(1H)-QUINOLONES REACTED WITH HYDRAZINE TO FORM 5-(2-AMINOPHENYL)PYRAZOLES WHICH ARE CYCLIZED WITH PHOSGENE, THIOPHOSGENE OR ETHYL CHLOROFORMATE | E. R. SQUIBB & SONS, INC. (US) | 1981-02-24 | — | — | US | disclosed |
| EP-0023773-A1 | Process for preparing pyrazolo(1,5-c)-quinazoline derivatives and novel intermediates | E.R. Squibb & Sons, Inc. (US) | 1981-02-11 | — | — | EP | disclosed |