Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA7 | P43166 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.46 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7592102 | 0.84 | CA12 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7594237 | 0.83 | PKM (0.38) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9885271 | 0.81 | CA12 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2212198 | 0.81 | CA12 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9886090 | 0.80 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7595272 | 0.80 | MEN1 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16528056 | 0.76 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4652540 | 0.75 | CYP2C19 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7896250 | 0.75 | MAPT (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13307487 | 0.74 | CA12 (0.50) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |