Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | IDH1 | O75874 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 6/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2226759 | 0.82 | TTR (0.44) | ALDH1A1PKMCA12CA1CA2 | |
| SCHEMBL7593857 | 0.80 | MRGPRX4 (0.40) | ALDH1A1PKMCA12CA1CA2 | |
| Acetic Acid SCHEMBL28155950 | 0.80 | TPMT (0.43) | ALDH1A1PKMCA12CA1CA2 | |
| SCHEMBL5666942 | 0.80 | ALDH1A1 (0.64) | ALDH1A1IDH1CYP3A4CA2RAB9A | |
| SCHEMBL5351634 | 0.79 | ALDH1A1 (0.43) | ALDH1A1IDH1CYP3A4CA2MEN1 | |
| SCHEMBL1866724 | 0.78 | TTR (0.44) | ALDH1A1PKMCA12CA1CA2 | |
| SCHEMBL7594237 | 0.76 | PKM (0.38) | ALDH1A1PKMCA12CA1CA2 | |
| SCHEMBL31160231 | 0.76 | ALDH1A1 (0.61) | ALDH1A1IDH1CYP3A4CA2RAB9A | |
| SCHEMBL990642 | 0.76 | ALDH1A1 (0.61) | ALDH1A1IDH1CYP3A4CA2RAB9A | |
| SCHEMBL1792464 | 0.75 | KMT2A (0.46) | ALDH1A1IDH1MRGPRX4MEN1KMT2A |
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-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 |