Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.41 |
| ▸ | DPP4 | P27487 | 3/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.36 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.35 |
| ▸ | GABRE | P78334 | 1/20 | 0.35 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.35 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.35 |
| ▸ | GABRG3 | Q99928 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31436370 | 0.85 | HCAR2 (0.41) | HCAR2DPP4DPP8DPP9ADORA3 | |
| SCHEMBL8995714 | 0.85 | HCAR2 (0.41) | HCAR2DPP4DPP8DPP9ADORA3 | |
| SCHEMBL8995696 | 0.85 | GABRP (0.37) | HCAR2DPP4DPP8DPP9ADORA3 | |
| SCHEMBL11375262 | 0.82 | ALDH1A1 (0.40) | HCAR2DPP4DPP8DPP9ADORA3 | |
| SCHEMBL29188835 | 0.79 | GABRP (0.33) | HCAR2DPP4DPP8DPP9ADORA3 | |
| SCHEMBL8995682 | 0.76 | KMO (0.34) | HCAR2DPP4DPP8DPP9ADORA3 | |
| SCHEMBL9784563 | 0.76 | HCAR2 (0.38) | HCAR2DPP4DPP8DPP9ADORA3 | |
| SCHEMBL29102125 | 0.73 | PDE10A (0.34) | HCAR2DPP4MEN1KMT2AKDM4E | |
| SCHEMBL30968740 | 0.73 | HCAR2 (0.33) | HCAR2DPP4DPP8DPP9ADORA3 | |
| SCHEMBL21843253 | 0.73 | NPC1 (0.48) | HCAR2GABRPGABRDGABRA1GABRB1 |
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-5047542-A | Reaction of ketoester with unsaturated aldehyde or ketone | HOECHST CELANESE CORPORATION (US) | 1991-09-10 | — | — | US | claimed |
| US-4871859-A | REACTING KETOESTER WITH UNSATURATED ALDEHYDE OR KETONE AND AMMONIUM SALT IN SOLVENT AND DEHYDROGENATION CATALYST | HOECHST CELANESE CORPORATION | 1989-10-03 | — | — | US | claimed |
| WO-1989008103-A1 | PROCESS FOR PREPARING PYRIDINE CARBOXYLIC ACID ESTERS | HOECHST CELANESE CORPORATION (US) | 1989-09-08 | — | — | WO | claimed |