Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.36 |
| ▸ | CES1 | P23141 | 4/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 5/20 | 0.33 |
| ▸ | PPARD | Q03181 | 5/20 | 0.33 |
| ▸ | PPARA | Q07869 | 5/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TLR2 | O60603 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8775960 | 0.74 | ALOX15 (0.32) | ALOX15 | |
| Hexane SCHEMBL27419828 | 0.71 | CES2 (0.46) | CES2CES1MEN1KMT2AFAAH | |
| Hexane SCHEMBL27912520 | 0.69 | CES2 (0.56) | CES2CES1MEN1KMT2AFAAH | |
| Hexadecane SCHEMBL27791308 | 0.69 | CES2 (0.48) | CES2CES1MEN1KMT2AFAAH | |
| Dodecane SCHEMBL27564339 | 0.69 | CES2 (0.48) | CES2CES1MEN1KMT2AFAAH | |
| Nonane SCHEMBL27555103 | 0.69 | CES2 (0.48) | CES2CES1MEN1KMT2AFAAH | |
| Tetradecane SCHEMBL27536709 | 0.69 | CES2 (0.48) | CES2CES1MEN1KMT2AFAAH | |
| SCHEMBL28108369 | 0.69 | CES2 (0.48) | CES2CES1MEN1KMT2AFAAH | |
| Heptane SCHEMBL27575204 | 0.69 | CES2 (0.48) | CES2CES1MEN1KMT2AFAAH | |
| Undecane SCHEMBL27589578 | 0.69 | CES2 (0.48) | CES2CES1MEN1KMT2AFAAH |
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 |