Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.39 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11543993 | 0.82 | ADORA3 (0.46) | ADORA3HSD17B10KDM4ENPC1GAA | |
| SCHEMBL11471421 | 0.80 | ADORA3 (0.55) | ADORA3HSD17B10KDM4ENPC1GAA | |
| SCHEMBL22204559 | 0.79 | ADORA3 (0.46) | ADORA3HSD17B10KDM4ENPC1GAA | |
| Hydrochloric Acid SCHEMBL11473024 | 0.78 | ADORA3 (0.54) | ADORA3HSD17B10KDM4ENPC1GAA | |
| SCHEMBL20802144 | 0.75 | ADORA3 (0.42) | ADORA3HSD17B10KDM4ENPC1GAA | |
| SCHEMBL27883367 | 0.74 | ADORA3 (0.60) | ADORA3HSD17B10KDM4ENPC1GAA | |
| SCHEMBL31571961 | 0.72 | HPGD (0.53) | ADORA3HSD17B10KDM4EGAAALDH1A1 | |
| SCHEMBL5069229 | 0.71 | — | — | |
| SCHEMBL23611757 | 0.70 | HSD17B10 (0.66) | ADORA3HSD17B10KDM4ENPC1GAA | |
| SCHEMBL29867792 | 0.68 | HSD17B10 (0.42) | ADORA3HSD17B10KDM4ENPC1GAA |
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 |