Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Propynoic Acid Ethyl Ester. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Propynoic Acid Ethyl Ester SCHEMBL125800 | 0.91 | — | — | |
| Propynoic Acid Ethyl Ester SCHEMBL30405100 | 0.88 | — | — | |
| Propynoic Acid Ethyl Ester SCHEMBL27430542 | 0.88 | — | — | |
| Propynoic Acid Ethyl Ester SCHEMBL8472125 | 0.88 | — | — | |
| Propynoic Acid Ethyl Ester SCHEMBL6636396 | 0.88 | — | — | |
| Propynoic Acid Ethyl Ester SCHEMBL28774918 | 0.88 | — | — | |
| Propynoic Acid Ethyl Ester SCHEMBL6642135 | 0.86 | ALDH1A1 (0.43) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| Propynoic Acid Ethyl Ester SCHEMBL7967456 | 0.84 | ALDH1A1 (0.42) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| Propynoic Acid Ethyl Ester SCHEMBL28262379 | 0.84 | ALDH1A1 (0.42) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| Propynoic Acid Ethyl Ester SCHEMBL28671067 | 0.82 | FFAR3 (0.46) | ALDH1A1LMNAHSD17B10ALOX15MGAM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6303625-B1 | FIBRINOGEN RECEPTOR ANTAGONISTS WHICH INHIBIT PLATELET AGGREGATION AND ARE USEFUL IN TREATING THROMBOTIC DISORDERS | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2001-10-16 | — | — | US | disclosed |
| US-6066651-A | ANTITHROMBOTIC AGENTS BY VIRTUE OF THEIR ABILITY TO PREVENT PLATELET AGGREGATION | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2000-05-23 | — | — | US | disclosed |