Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | LDHA | P00338 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14252651 | 0.81 | ALDH1A1 (0.54) | ALDH1A1ADORA3SMN1; SMN2RAB9ALDHA | |
| SCHEMBL14183026 | 0.73 | CRHR1 (0.46) | ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A | |
| SCHEMBL5063123 | 0.72 | KDM4E (0.54) | ALDH1A1ADORA3SMN1; SMN2RAB9ALDHA | |
| SCHEMBL25437330 | 0.72 | ALDH1A1 (0.44) | ALDH1A1ADORA3SMN1; SMN2MEN1KMT2A | |
| SCHEMBL2672810 | 0.71 | POLB (0.44) | ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A | |
| SCHEMBL14252656 | 0.71 | ADORA3 (0.59) | ALDH1A1ADORA3SMN1; SMN2RAB9AMEN1 | |
| SCHEMBL20081370 | 0.70 | PDE10A (0.61) | ALDH1A1RAB9AMEN1KMT2ALMNA | |
| SCHEMBL16577109 | 0.70 | MEN1 (0.55) | ALDH1A1SMN1; SMN2RAB9ALDHAMEN1 | |
| SCHEMBL5193715 | 0.70 | SMN1; SMN2 (0.55) | ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A | |
| SCHEMBL31115709 | 0.70 | TARBP2 (0.52) | ALDH1A1ADORA3SMN1; SMN2RAB9AKMT2A |
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 |