Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 5/20 | 0.41 |
| ▸ | F3 | P13726 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7668930 | 0.80 | ALDH1A1 (0.63) | MAPTKDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL25954425 | 0.73 | ALDH1A1 (0.53) | MAPTKDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL9839256 | 0.70 | ALDH1A1 (1.00) | MAPTKDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL31474400 | 0.69 | NQO2 (0.76) | MAPTKDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL20457122 | 0.69 | NQO2 (0.76) | MAPTKDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL22383911 | 0.69 | NQO2 (0.76) | MAPTKDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL10800845 | 0.68 | ALDH1A1 (0.61) | MAPTKDM4EALDH1A1HPGDNR1I2 | |
| SCHEMBL10800841 | 0.68 | ALDH1A1 (0.61) | MAPTKDM4EALDH1A1HPGDNR1I2 | |
| SCHEMBL15304527 | 0.68 | CES2 (0.58) | MAPTKDM4EALDH1A1HPGDNR1I2 | |
| SCHEMBL12710305 | 0.68 | KDM4E (0.77) | MAPTKDM4EALDH1A1HPGDNR1I2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1092714-A2 | Process for the synthesis of benzo[b]thiophenes | Eli Lilly & Company (US) | 2001-04-18 | — | — | EP | disclosed |
| US-5606075-A | CYCLIZATION IN THE PRESENCE OF AN ACID CATALYST | ELI LILLY AND COMPANY (US) | 1997-02-25 | — | — | 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 |