Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MIF | P14174 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7225521 | 0.81 | ALDH1A1 (0.51) | CYP3A4LMNAALDH1A1TSHRMEN1 | |
| SCHEMBL465593 | 0.81 | ALDH1A1 (0.51) | CYP3A4LMNAALDH1A1TSHRMEN1 | |
| SCHEMBL27608520 | 0.78 | CYP3A4 (0.49) | CYP3A4HIF1ALMNAADRB1ADRA1A | |
| SCHEMBL28807320 | 0.73 | LMNA (0.42) | CYP3A4LMNAALDH1A1ACHEMEN1 | |
| SCHEMBL910504 | 0.72 | ADRB1 (0.52) | CYP3A4HIF1ALMNAADRB1ADRA1A | |
| SCHEMBL11438571 | 0.70 | LMNA (0.44) | CYP3A4LMNAALDH1A1GAAACHE | |
| SCHEMBL8944137 | 0.70 | ADRB1 (0.48) | CYP3A4HIF1ALMNAADRB1ADRA1A | |
| SCHEMBL8943712 | 0.69 | KYNU (0.49) | CYP3A4HIF1ALMNAADRB1ADRA1A | |
| SCHEMBL29172244 | 0.68 | ADRB1 (0.52) | CYP3A4HIF1ALMNAADRB1ADRA1A | |
| Acetic Acid SCHEMBL9103437 | 0.68 | HIF1A (0.54) | CYP3A4HIF1ALMNAADRB1ADRA1A |
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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0334590-B1 | 3-(Substituted)-1-carba(dethia)-3-cephems and cephalosporins and a process for production therefor | LILLY CO ELI (US) | 2001-07-04 | — | — | EP | disclosed |
| EP-0565351-B1 | Process for preparing 7-substituted-amino-3-hydroxy-3-cephem-4-protected carboxy-sulfoxide esters | LILLY CO ELI (US) | 2000-08-23 | — | — | EP | disclosed |
| EP-0494118-B1 | Process for 3-exomethylenecepham sulfoxide esters | LILLY CO ELI (US) | 1997-04-09 | — | — | EP | disclosed |
| US-5512454-A | Enzymatic acylation of 3-hydroxymethyl cephalosporins | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-04-30 | — | — | US | disclosed |
| EP-0677523-A1 | 3-(substituted)-1-carba(dethia)-3-cephems and cephalosporins and a process for production therefor | ELI LILLY AND COMPANY (US) | 1995-10-18 | — | — | EP | disclosed |
| EP-0667396-A1 | Enzymatic acylation of 3-hydroxymethyl cephalosporins | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-08-16 | — | — | EP | disclosed |
| EP-0334592-B1 | A process for preparing 3-unsubstituted cephalosporins and 1-carba(dethia)cephalosporins | LILLY CO ELI (US) | 1995-01-25 | — | — | EP | disclosed |
| US-5350845-A | Process for preparing 7-substituted-amino-3-hydroxy-3-cephem-4-protected carboxy-sulfoxide esters | ELI LILLY AND COMPANY (US) | 1994-09-27 | — | — | US | disclosed |
| EP-0611770-A2 | A process for preparing acid halides | ELI LILLY AND COMPANY (US) | 1994-08-24 | — | — | EP | disclosed |
| EP-0327239-B1 | 1-carbacephalosporin antibiotics | LILLY CO ELI (US) | 1994-06-22 | — | — | EP | disclosed |
| EP-0327239-A1 | 1-carbacephalosporin antibiotics | ELI LILLY AND COMPANY (US) | 1989-08-09 | — | — | EP | disclosed |
| US-4855418-A | Process for production of ceophalosporins | ELI LILLY AND COMPANY (US) | 1989-08-08 | — | — | US | disclosed |
| EP-0324562-A1 | 1-Carba(dethia)-3-cephem derivatives | ELI LILLY AND COMPANY (US) | 1989-07-19 | — | — | EP | disclosed |
| US-4820816-A | 3-trifuoromethylsulfonyloxy-substituted 1-carbacephalosporins as intermediates for antibiotics | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1989-04-11 | — | — | US | disclosed |
| US-4820832-A | Process for preparing 3-unsubstituted cephalosporins and 1-carba(dethia)cephalosporins | ELI LILLY AND COMPANY (US) | 1989-04-11 | — | — | US | disclosed |
| EP-0299728-A2 | Carbonylation process for beta-lactam antibiotics | ELI LILLY AND COMPANY (US) | 1989-01-18 | — | — | EP | disclosed |
| US-4791106-A | 1-Carbacephalosporin antibiotics | ELI LILLY AND COMPANY (US) | 1988-12-13 | — | — | US | disclosed |
| US-4778884-A | REACTING TRIFLUOROMETHYLSULFONYLOXY COMPOUND WITH LITHIUM HALIDE IN APROTIC POLAR SOLVENT | PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) | 1988-10-18 | — | — | US | disclosed |
| US-4673737-A | ANTIBIOTICS/ | HARVARD UNIVERSITY (US) | 1987-06-16 | — | — | US | disclosed |
| EP-0211540-A1 | Intermediates and process for antibiotics | THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1987-02-25 | — | — | EP | disclosed |