Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16258183 | 0.81 | TSHR (0.44) | CES2CES1AKR1C3AKR1C2TSHR | |
| SCHEMBL8251464 | 0.76 | UGT2B7 (0.45) | CES2CES1AKR1C3AKR1C2TSHR | |
| SCHEMBL16216180 | 0.75 | PDE2A (0.42) | AKR1C3AKR1C2TSHRADRB1ADRA2A | |
| SCHEMBL14154807 | 0.75 | AKR1C3 (0.37) | CES2CES1AKR1C3AKR1C2TSHR | |
| SCHEMBL11220766 | 0.73 | CES2 (0.45) | CES2CES1AKR1C3AKR1C2TSHR | |
| SCHEMBL19735026 | 0.73 | CES2 (0.45) | CES2CES1AKR1C3AKR1C2TSHR | |
| SCHEMBL17947385 | 0.72 | LMNA (0.45) | AKR1C3AKR1C2TSHRADRB1ADRA2A | |
| SCHEMBL16951469 | 0.72 | AKR1C3 (0.39) | CES2CES1AKR1C3AKR1C2TSHR | |
| SCHEMBL8281137 | 0.72 | ADRA2A (0.45) | CES2CES1AKR1C3AKR1C2TSHR | |
| SCHEMBL13862134 | 0.72 | CYP3A4 (0.46) | AKR1C3AKR1C2TSHRADRB1ADRA2A |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5532353-A | Process for the preparation of halogenated β-lactam compounds | BIOCHIMICA OPOS SPA (IT) | 1996-07-02 | — | — | US | disclosed |
| EP-0570058-A2 | Process for the preparation of halogenated beta-lactam compounds | BIOCHIMICA OPOS SPA (IT) | 1993-11-18 | — | — | EP | disclosed |
| US-4533497-A | N-ethylidene azetidinones | ELI LILLY AND COMPANY (US) | 1985-08-06 | — | — | US | disclosed |
| US-4281116-A | ANTIBIOTICS | ELI LILLY AND COMPANY (US) | 1981-07-28 | — | — | US | disclosed |
| US-4260745-A | 3-Halo cephalosporins | ELI LILLY AND COMPANY (US) | 1981-04-07 | — | — | US | disclosed |
| US-4252950-A | ANTIBIOTICS, BACTERICIDES, FUNGICIDES | ELI LILLY AND COMPANY (US) | 1981-02-24 | — | — | US | disclosed |
| US-4208515-A | 3-Halo cephalosporins | ELI LILLY AND COMPANY (US) | 1980-06-17 | — | — | US | disclosed |
| US-4065618-A | Process for 3-H-3-cephem esters | ELI LILLY AND COMPANY (US) | 1977-12-27 | — | — | US | disclosed |
| US-4065621-A | Process for 3-alkyl and 3-phenyl cephalosporins | ELI LILLY AND COMPANY (US) | 1977-12-27 | — | — | US | disclosed |
| US-4064343-A | ANTIBIOTICS | ELI LILLY AND COMPANY (US) | 1977-12-20 | — | — | US | disclosed |
| US-4013651-A | 3-SUBSTITUTED AMINO-CEPHALOSPORINS | ELI LILLY AND COMPANY (US) | 1977-03-22 | — | — | US | disclosed |
| US-3992377-A | 3-Thio-substituted cephalosporin antibiotics | ELI LILLY AND COMPANY (US) | 1976-11-16 | — | — | US | disclosed |
| US-3985737-A | ANTIBACTERIAL AGENTS | ELI LILLY AND COMPANY (US) | 1976-10-12 | — | — | US | disclosed |
| US-3962227-A | ANTIBIOTICS | ELI LILLY AND COMPANY (US) | 1976-06-08 | — | — | US | disclosed |