Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.49 |
| ▸ | MPI | P34949 | 1/20 | 0.44 |
| ▸ | CCR2 | P41597 | 3/20 | 0.41 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PPIA | P62937 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3842281 | 0.85 | VCAM1 (0.51) | VCAM1TSHRALDH1A1MAPK1LMNA | |
| SCHEMBL61198 | 0.85 | CYP3A4 (0.56) | CYP3A4TRPA1MPITSHRALDH1A1 | |
| SCHEMBL29389795 | 0.84 | CYP3A4 (0.49) | CYP3A4TRPA1TSHRALDH1A1TDP1 | |
| SCHEMBL124224 | 0.84 | CYP3A4 (0.49) | CYP3A4TRPA1TSHRALDH1A1TDP1 | |
| SCHEMBL10718338 | 0.78 | CYP3A4 (0.47) | CYP3A4TRPA1TSHRALDH1A1TDP1 | |
| SCHEMBL8735930 | 0.78 | VCAM1 (0.53) | VCAM1TSHRALDH1A1MAPK1LMNA | |
| SCHEMBL30976988 | 0.78 | TSHR (0.60) | CYP3A4CCR2VCAM1TSHRALDH1A1 | |
| SCHEMBL400340 | 0.78 | TSHR (0.60) | CYP3A4CCR2VCAM1TSHRALDH1A1 | |
| Methyl Alcohol SCHEMBL28263562 | 0.74 | TSHR (0.56) | CYP3A4CCR2VCAM1TSHRALDH1A1 | |
| SCHEMBL3839311 | 0.73 | CYP3A4 (0.56) | CYP3A4TRPA1MPITSHRALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0880558-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-12-02 | — | — | EP | disclosed |
| WO-1998008813-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PYRROLIDINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |
| WO-1997026300-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES | ELI LILLY AND COMPANY (US) | 1997-07-24 | — | — | WO | disclosed |