Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | SOST | Q9BQB4 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | CDK7 | P50613 | 4/20 | 0.34 |
| ▸ | CCNH | P51946 | 4/20 | 0.34 |
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 SCHEMBL3710909 | 0.91 | CA12 (0.57) | CA12CA1CA2LMNACA3 | |
| Coumarin SCHEMBL28816458 | 0.83 | CA12 (0.69) | CA12CA1CA2LMNACA3 | |
| Piperidine SCHEMBL5332373 | 0.82 | OXTR (0.43) | LMNANOTUMGHSRCLK1DYRK1A | |
| Coumarin SCHEMBL4013018 | 0.79 | — | — | |
| Aziridine SCHEMBL31305856 | 0.77 | OXTR (0.47) | LMNANOTUMGHSRCLK1DYRK1A | |
| Coumarin SCHEMBL27928273 | 0.76 | CA12 (0.77) | CA12CA1CA2LMNACA3 | |
| Chromone SCHEMBL3632887 | 0.75 | MAOA (0.49) | ACHENOTUMGHSRCLK1DYRK1A | |
| Piperidine SCHEMBL11599158 | 0.74 | OXTR (0.44) | LMNAMEN1KMT2A | |
| Coumarin SCHEMBL28474090 | 0.74 | CA12 (0.87) | CA12CA1CA2LMNACA3 | |
| Coumarin SCHEMBL28593449 | 0.74 | CA12 (0.87) | CA12CA1CA2LMNACA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2141994-A1 | MULTI-RING COMPOUNDS AND USES THEREOF | Avalon Pharmaceuticals (US) | 2010-01-13 | — | — | EP | disclosed |
| WO-2008133975-A1 | MULTI-RING COMPOUNDS AND USES THEREOF | AVALON PHARMACEUTICALS (US) | 2008-11-06 | — | — | WO | disclosed |