Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESRRB | O95718 | 7/20 | 0.42 |
| ▸ | ESRRA | P11474 | 7/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.33 |
| ▸ | MIF | P14174 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | RARA | P10276 | 1/20 | 0.32 |
| ▸ | RARG | P13631 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL34471543 | 0.80 | HTR2C (0.31) | — | |
| SCHEMBL20839736 | 0.80 | MMP12 (0.35) | ALDH1A1MAPTRAB9ALMNA | |
| SCHEMBL28127083 | 0.77 | CYP3A4 (0.45) | TYRCYP3A4NR1H4ESR1ESR2 | |
| SCHEMBL30939479 | 0.77 | CYP3A4 (0.45) | TYRCYP3A4NR1H4ESR1ESR2 | |
| SCHEMBL430257 | 0.76 | ALOX5 (0.51) | CYP3A4NR1H4ALDH1A1MAPTRAB9A | |
| SCHEMBL432893 | 0.75 | ALOX5 (0.41) | ALDH1A1MAPTRAB9ACA2MAOA | |
| SCHEMBL4430663 | 0.73 | TYR (0.54) | TYRCYP3A4NR1H4ALDH1A1MAPT | |
| Idronoxil SCHEMBL149612 | 0.72 | ESR2 (0.49) | TYRCYP3A4NR1H4ESR1ESR2 | |
| Idronoxil SCHEMBL29353213 | 0.72 | ESR2 (0.49) | TYRCYP3A4NR1H4ESR1ESR2 | |
| SCHEMBL20722762 | 0.71 | ALDH1A1 (0.36) | ALDH1A1MAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| 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 |