Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8589377 | 0.92 | GABRA1 (0.40) | GABRA1GABRB2CYP3A4TRPA1SIGMAR1 | |
| SCHEMBL8943320 | 0.82 | CYP3A4 (0.42) | CYP3A4TRPA1TDP1MAPK1MEN1 | |
| SCHEMBL29795971 | 0.81 | GABRA1 (0.61) | GABRA1GABRB2CYP3A4TRPA1SIGMAR1 | |
| SCHEMBL93290 | 0.81 | GABRA1 (0.61) | GABRA1GABRB2CYP3A4TRPA1SIGMAR1 | |
| SCHEMBL59005 | 0.81 | MAPK1 (0.45) | GABRA1GABRB2CYP3A4TRPA1TDP1 | |
| SCHEMBL13645354 | 0.75 | GABRA1 (0.44) | GABRA1GABRB2CYP3A4TRPA1TDP1 | |
| SCHEMBL3843325 | 0.75 | GABRA1 (0.44) | GABRA1GABRB2CYP3A4TRPA1TDP1 | |
| SCHEMBL7757579 | 0.75 | CYP3A4 (0.41) | GABRA1GABRB2CYP3A4TRPA1SIGMAR1 | |
| SCHEMBL671741 | 0.74 | CYP3A4 (0.54) | GABRA1GABRB2CYP3A4TRPA1TDP1 | |
| SCHEMBL7001694 | 0.73 | GABRA1 (0.52) | GABRA1GABRB2CYP3A4TRPA1SIGMAR1 |
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 2 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-1997026300-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES | ELI LILLY AND COMPANY (US) | 1997-07-24 | — | — | WO | disclosed |