Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.58 |
| ▸ | CA1 | P00915 | 3/20 | 0.58 |
| ▸ | CA2 | P00918 | 3/20 | 0.58 |
| ▸ | CA7 | P43166 | 3/20 | 0.58 |
| ▸ | CA9 | Q16790 | 3/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.58 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.53 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9885271 | 0.96 | CA12 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2212198 | 0.96 | CA12 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16528056 | 0.91 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4652540 | 0.90 | CYP2C19 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9886090 | 0.89 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13307487 | 0.88 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12407016 | 0.88 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16528649 | 0.88 | CYP4F2 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29201195 | 0.86 | CA12 (0.64) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7905620 | 0.84 | CA12 (0.46) | CA12CA1CA2CA7CA9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1000038-B1 | NOVEL PYRIMIDIN DERIVATIVES | ASTRAZENECA AB (SE) | 2002-11-06 | — | — | EP | disclosed |
| US-6200981-B1 | FOR TREATING INFLAMMATORY DISEASES SUCH AS ASTHMA, INFLAMMATORY BOWEL DISEASE, PSORIASIS, RHEUMATOID ARTHRITIS, MYOCARDIAL ISCHAEMIA, CYSTIC FIBROSIS, ARTHEREOSCLEROSIS, RESTENOSIS, PERIDONTAL DISEASE, SEPTIC SHOCK, OSTEOARTHRITIS | ASTRAZENECA UK LIMITED (GB) | 2001-03-13 | — | — | US | disclosed |
| EP-1000038-A1 | NOVEL PYRIMIDIN DERIVATIVES | AstraZeneca UK Limited (GB) | 2000-05-17 | — | — | EP | disclosed |
| WO-1999005123-A1 | NOVEL PYRIMIDIN DERIVATIVES | ASTRAZENECA UK LIMITED (GB) | 1999-02-04 | — | — | WO | disclosed |