Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6804044 | 0.89 | ACHE (0.46) | ACHEKDM4ELMNAMAPTPOLB | |
| SCHEMBL264705 | 0.79 | BRD4 (0.54) | ABCB1ACHEKDM4ELMNAMAPT | |
| SCHEMBL14128548 | 0.79 | ABCB1 (0.47) | ABCB1ACHEKDM4ELMNAMAPT | |
| SCHEMBL7952434 | 0.79 | ABCB1 (0.47) | ABCB1ACHEKDM4ELMNAMAPT | |
| SCHEMBL29802310 | 0.79 | BRD4 (0.54) | ABCB1ACHEKDM4ELMNAMAPT | |
| SCHEMBL10041965 | 0.78 | HPGD (0.45) | ABCB1ACHEKDM4ELMNAMAPT | |
| SCHEMBL30314684 | 0.78 | HPGD (0.45) | ABCB1ACHEKDM4ELMNAMAPT | |
| SCHEMBL5395492 | 0.78 | HPGD (0.45) | ABCB1ACHEKDM4ELMNAMAPT | |
| SCHEMBL5395496 | 0.78 | HPGD (0.45) | ABCB1ACHEKDM4ELMNAMAPT | |
| SCHEMBL5208718 | 0.77 | ABCB1 (0.49) | ABCB1ACHEKDM4ELMNAMAPT |
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-6750243-B1 | COMPETITIVE INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASES, ESPECIALLY THROMBIN; chemical synthesis; anticoagulants; treatment of thrombosis | AstraZeneća AB (SE) | 2004-06-15 | — | — | US | claimed |