Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 11/20 | 0.80 |
| ▸ | CA9 | Q16790 | 11/20 | 0.80 |
| ▸ | CA1 | P00915 | 8/20 | 0.80 |
| ▸ | CA2 | P00918 | 7/20 | 0.80 |
| ▸ | CA7 | P43166 | 7/20 | 0.80 |
| ▸ | CA14 | Q9ULX7 | 7/20 | 0.80 |
| ▸ | CA3 | P07451 | 6/20 | 0.80 |
| ▸ | CA4 | P22748 | 6/20 | 0.80 |
| ▸ | CA5B | Q9Y2D0 | 6/20 | 0.80 |
| ▸ | CA6 | P23280 | 6/20 | 0.80 |
| ▸ | CA5A | P35218 | 5/20 | 0.80 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.80 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.80 |
| ▸ | LMNA | P02545 | 1/20 | 0.80 |
| ▸ | SOST | Q9BQB4 | 1/20 | 0.80 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
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 SCHEMBL28336801 | 0.91 | CA12 (0.71) | CA12CA9CA1CA2CA7 | |
| Coumarin SCHEMBL21084335 | 0.90 | CA12 (0.77) | CA12CA9CA1CA2CA7 | |
| Coumarin SCHEMBL7106473 | 0.90 | CA12 (0.91) | CA12CA9CA1CA2CA7 | |
| Coumarin SCHEMBL29385611 | 0.89 | CA12 (1.00) | CA12CA9CA1CA2CA7 | |
| Coumarin SCHEMBL28886137 | 0.89 | CA12 (1.00) | CA12CA9CA1CA2CA7 | |
| Coumarin SCHEMBL3441294 | 0.89 | CA12 (1.00) | CA12CA9CA1CA2CA7 | |
| Coumarin SCHEMBL6252 | 0.89 | CA12 (1.00) | CA12CA9CA1CA2CA7 | |
| Coumarin SCHEMBL1038138 | 0.89 | CA12 (1.00) | CA12CA9CA1CA2CA7 | |
| Coumarin SCHEMBL621751 | 0.89 | CA12 (1.00) | CA12CA9CA1CA2CA7 | |
| Coumarin SCHEMBL28031527 | 0.88 | CA12 (0.87) | CA12CA9CA1CA2CA7 |
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-9274008-B2 | Nanothermometer, methods and uses therefor | WASHINGTON UNIVERSITY (US) | 2016-03-01 | — | — | US | disclosed |
| US-20140147929-A1 | Nanothermometer, Methods and Uses Therefor | WASHINGTON UNIVERSITY (US) | 2014-05-29 | — | — | US | disclosed |