Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.63 |
| ▸ | MAPT | P10636 | 2/20 | 0.63 |
| ▸ | HPGD | P15428 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | APEX1 | P27695 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | NQO2 | P16083 | 4/20 | 0.47 |
| ▸ | F3 | P13726 | 1/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.46 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7761320 | 0.80 | MAPT (0.53) | ALDH1A1KDM4EMAPTHPGDCYP1A2 | |
| SCHEMBL9839256 | 0.78 | ALDH1A1 (1.00) | ALDH1A1KDM4EMAPTHPGDCYP1A2 | |
| SCHEMBL31474400 | 0.76 | NQO2 (0.76) | ALDH1A1KDM4EMAPTHPGDCYP1A2 | |
| SCHEMBL20457122 | 0.76 | NQO2 (0.76) | ALDH1A1KDM4EMAPTHPGDCYP1A2 | |
| SCHEMBL22383911 | 0.76 | NQO2 (0.76) | ALDH1A1KDM4EMAPTHPGDCYP1A2 | |
| SCHEMBL1651929 | 0.75 | NQO2 (0.50) | ALDH1A1KDM4EMAPTHPGDCYP1A2 | |
| SCHEMBL13579994 | 0.74 | KDM4E (0.66) | ALDH1A1KDM4EMAPTHPGDCYP1A2 | |
| SCHEMBL14368925 | 0.73 | ALDH1A1 (0.89) | ALDH1A1KDM4EMAPTHPGDCYP1A2 | |
| SCHEMBL13141933 | 0.73 | KDM4E (0.89) | ALDH1A1KDM4EMAPTHPGDCYP1A2 | |
| SCHEMBL15304533 | 0.73 | CES2 (0.60) | ALDH1A1KDM4EMAPTHPGDCYP3A4 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6372945-B1 | OXIDIZING BENZYL SULFIDE, REACTING BENZYL SULFOXIDE FORMED WITH STRONG BASE TO FORM BENZYLIC ANION, CONDENSING ANION WITH BENZALDEHYDE, REACTING CONDENSATION PRODUCT WITH ACID CHLORIDE TO PRODUCE ESTER, TREATING ESTER WITH STRONG BASE | ELI LILLY AND COMPANY | 2002-04-16 | — | — | US | disclosed |
| EP-0830356-B1 | PROCESS FOR THE SYNTHESIS OF BENZO(b)THIOPHENES | LILLY CO ELI (US) | 2001-08-22 | — | — | EP | disclosed |
| EP-1092714-A2 | Process for the synthesis of benzo[b]thiophenes | Eli Lilly & Company (US) | 2001-04-18 | — | — | EP | disclosed |
| EP-0859770-B1 | PROCESS FOR THE SYNTHESIS OF BENZO b]THIOPHENES | LILLY CO ELI (US) | 1999-12-08 | — | — | EP | disclosed |
| EP-0859770-A4 | — | — | 1998-10-07 | — | — | EP | disclosed |
| EP-0859770-A1 | PROCESS FOR THE SYNTHESIS OF BENZO b]THIOPHENES | ELI LILLY AND COMPANY (US) | 1998-08-26 | — | — | EP | disclosed |
| US-5659087-A | CHEMICAL INTERMEDIATES FOR 2-ARYLBENZOTHIOPHENES | ELI LILLY AND COMPANY (US) | 1997-08-19 | — | — | US | disclosed |
| US-5606075-A | CYCLIZATION IN THE PRESENCE OF AN ACID CATALYST | ELI LILLY AND COMPANY (US) | 1997-02-25 | — | — | US | disclosed |
| US-5606076-A | CYCLIZATION IN PRESENCE OF AN ACID CATALYST | ELI LILLY AND COMPANY (US) | 1997-02-25 | — | — | US | disclosed |
| WO-1996040676-A1 | PROCESS FOR THE SYNTHESIS OF BENZO[b]THIOPHENES | ELI LILLY AND COMPANY (US) | 1996-12-19 | — | — | WO | disclosed |
| US-5569772-A | CHEMICAL INTERMEDIATES | ELI LILLY AND COMPANY (US) | 1996-10-29 | — | — | US | disclosed |
| US-5514826-A | INTERMEDIATES FOR 2-ARYLBENZO(B)THIOPHENES | ELI LILLY AND COMPANY (US) | 1996-05-07 | — | — | US | disclosed |
| US-5512701-A | REACTING SULFOXIDE DERIVATIVE WITH A SILYATING AGENT TO FORM SULFENATE SILYL ESTER, OPTIONALLY REACTING INTERMEDIATE WITH AN AMINE AND/OR A MERCAPTAN | ELI LILLY AND COMPANY (US) | 1996-04-30 | — | — | US | disclosed |