Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.58 |
| ▸ | FLT3 | P36888 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 4/20 | 0.47 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7214706 | 0.85 | CA9 (0.60) | CYP2A6FLT3ESR2KDM4EALDH1A1 | |
| SCHEMBL6014124 | 0.78 | CYP2A6 (0.60) | CYP2A6CA1CA2 | |
| SCHEMBL3999399 | 0.77 | CYP2A6 (0.58) | CYP2A6FLT3KDM4EALDH1A1HPGD | |
| SCHEMBL20559975 | 0.77 | CYP2A6 (0.58) | CYP2A6CA9CA12CA1CA2 | |
| SCHEMBL6014129 | 0.77 | CYP2A6 (0.58) | CYP2A6ALDH1A1LMNASMN1; SMN2CA9 | |
| SCHEMBL29082332 | 0.77 | GPR35 (0.60) | CYP2A6KDM4EALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL8025307 | 0.77 | CYP2A6 (0.58) | CYP2A6ALDH1A1CA9CA12CA1 | |
| SCHEMBL13250950 | 0.75 | HSD17B3 (0.47) | CYP2A6ESR1ESR2KDM4EALDH1A1 | |
| SCHEMBL6480013 | 0.75 | CYP2A6 (0.51) | CYP2A6KDM4EALDH1A1CA9CA12 | |
| SCHEMBL17182569 | 0.74 | CYP2A6 (0.50) | CYP2A6KDM4EALDH1A1LMNAGLA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106749203-A | A kind of pyrimidine heterocyclic compounds, miazines heterocyclic compound salts and preparation method and application | 洛阳聚慧医药科技有限公司 | 2017-05-31 | — | — | CN | disclosed |
| US-6653340-B1 | 2-amidino-5 or 6-benzofuranyl or benzothiophenyl 2-furanyl, thiophenyl or benzyl carboxylates; serine protease inhibitors potent against Factor D of the alternate complement pathway | BIOCRYST PHARMACEUTICALS, INC. | 2003-11-25 | — | — | US | disclosed |
| EP-1066272-A4 | NOVEL COMPOUNDS USEFUL IN THE COMPLEMENT, COAGULAT AND KALLIKREIN PATHWAYS AND METHOD FOR THEIR PREPARATION | BIOCRYST PHARM INC (US) | 2002-03-13 | — | — | EP | disclosed |
| EP-1066272-A1 | NOVEL COMPOUNDS USEFUL IN THE COMPLEMENT, COAGULAT AND KALLIKREIN PATHWAYS AND METHOD FOR THEIR PREPARATION | BIOCRYST PHARMACEUTICALS INC. (US) | 2001-01-10 | — | — | EP | disclosed |
| WO-1998055471-A1 | NOVEL COMPOUNDS USEFUL IN THE COMPLEMENT, COAGULAT AND KALLIKREIN PATHWAYS AND METHOD FOR THEIR PREPARATION | BIOCRYST PHARMACEUTICALS, INC. (US) | 1998-12-10 | — | — | WO | disclosed |