Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.71 |
| ▸ | TP53 | P04637 | 1/20 | 0.70 |
| ▸ | FAAH | O00519 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 4/20 | 0.46 |
| ▸ | CES1 | P23141 | 4/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 6/20 | 0.43 |
| ▸ | PPARD | Q03181 | 6/20 | 0.43 |
| ▸ | PPARA | Q07869 | 6/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.43 |
| ▸ | TLR2 | O60603 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | FABP4 | P15090 | 2/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.43 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28140134 | 0.96 | ALDH1A1 (0.76) | TSHRALDH1A1TP53FAAHCES2 | |
| SCHEMBL28252945 | 0.96 | TSHR (0.70) | TSHRALDH1A1TP53FAAHCES2 | |
| SCHEMBL8093665 | 0.96 | TSHR (0.77) | TSHRALDH1A1TP53FAAHCES2 | |
| SCHEMBL28332807 | 0.93 | TSHR (0.82) | TSHRALDH1A1TP53FAAHCES2 | |
| SCHEMBL8109684 | 0.93 | ALDH1A1 (0.80) | TSHRALDH1A1TP53FAAHCES2 | |
| SCHEMBL8728577 | 0.88 | TSHR (0.60) | TSHRALDH1A1TP53FAAHCES2 | |
| SCHEMBL2887 | 0.86 | — | — | |
| Methylene Chloride SCHEMBL28998133 | 0.84 | TSHR (0.90) | TSHRALDH1A1TP53CES2CES1 | |
| Methylene Chloride SCHEMBL28793823 | 0.84 | TSHR (0.90) | TSHRALDH1A1TP53CES2CES1 | |
| Methylene Chloride SCHEMBL28087333 | 0.84 | TSHR (0.90) | TSHRALDH1A1TP53CES2CES1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1015479-A4 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR | LILLY CO ELI (US) | 2002-07-24 | — | — | EP | disclosed |
| EP-1015479-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR | ELI LILLY AND COMPANY (US) | 2000-07-05 | — | — | EP | disclosed |
| WO-1998057173-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PHENYLALANINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-12-17 | — | — | WO | disclosed |
| EP-0880558-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-12-02 | — | — | EP | disclosed |
| WO-1998046631-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR | ELI LILLY AND COMPANY (US) | 1998-10-22 | — | — | WO | disclosed |
| WO-1997026300-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES | ELI LILLY AND COMPANY (US) | 1997-07-24 | — | — | WO | disclosed |