Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Coumarin. 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 | |
|---|---|---|---|---|
| ▸ | PLG known ✓ | P00747 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 5/20 | 0.56 |
| ▸ | CA9 | Q16790 | 5/20 | 0.56 |
| ▸ | CA1 | P00915 | 3/20 | 0.56 |
| ▸ | CA2 | P00918 | 3/20 | 0.56 |
| ▸ | CA3 | P07451 | 3/20 | 0.56 |
| ▸ | CA4 | P22748 | 3/20 | 0.56 |
| ▸ | CA5A | P35218 | 3/20 | 0.56 |
| ▸ | CA7 | P43166 | 3/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.56 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | CA6 | P23280 | 2/20 | 0.56 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.56 |
| ▸ | SOST | Q9BQB4 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Coumarin SCHEMBL19834310 | 0.90 | CA12 (0.65) | CA12CA9CA1CA2CA3 | |
| Myristic Acid SCHEMBL28706218 | 0.86 | TDP1 (0.56) | CA12CA9CA1CA2CA3 | |
| Stearic Acid SCHEMBL4535448 | 0.86 | TDP1 (0.56) | CA12CA9CA1CA2CA3 | |
| Palmitic Acid SCHEMBL28715453 | 0.86 | TDP1 (0.56) | CA12CA9CA1CA2CA3 | |
| Coumarin SCHEMBL28312960 | 0.81 | CA12 (0.65) | CA12CA9CA1CA2CA3 | |
| Coumarin SCHEMBL16913716 | 0.80 | CA12 (0.51) | CA12CA9CA1CA2CA3 | |
| Coumarin SCHEMBL16913714 | 0.80 | CA12 (0.51) | CA12CA9CA1CA2CA3 | |
| Naphthalene SCHEMBL6898872 | 0.80 | LMNA (0.68) | LMNATDP1KMT2AALDH1A1MEN1 | |
| Coumarin SCHEMBL15736795 | 0.80 | CA12 (0.80) | CA12CA9CA1CA2CA3 | |
| Oleic Acid SCHEMBL3960296 | 0.80 | EPHX2 (0.57) | LMNATDP1KMT2AALDH1A1ALOX15 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117327157-A | Polypeptide coupling medicine and preparation method and application thereof | 上海大学 | 2024-01-02 | — | — | CN | disclosed |