Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
| ▸ | ITGAV | P06756 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 5/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | LMNA | P02545 | 4/20 | 0.32 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL334925 | 0.82 | MAPK1 (0.68) | CYP3A4TDP1MAPK1TRPA1IDO1 | |
| SCHEMBL29454784 | 0.82 | MAPK1 (0.68) | CYP3A4TDP1MAPK1TRPA1IDO1 | |
| SCHEMBL1021665 | 0.82 | CYP3A4 (0.73) | CYP3A4TDP1MAPK1TRPA1POLB | |
| SCHEMBL10493515 | 0.74 | TDP1 (0.67) | CYP3A4TDP1MAPK1TRPA1IDO1 | |
| SCHEMBL418944 | 0.72 | CYP3A4 (0.58) | CYP3A4TDP1MAPK1TRPA1GABRA1 | |
| SCHEMBL29648923 | 0.72 | CYP3A4 (0.58) | CYP3A4TDP1MAPK1TRPA1GABRA1 | |
| SCHEMBL3551283 | 0.72 | CYP3A4 (0.73) | CYP3A4TDP1TRPA1ALDH1A1GABRA1 | |
| Toluene Diisocyanate SCHEMBL5613485 | 0.72 | CYP3A4 (0.80) | CYP3A4TDP1MAPK1TRPA1MEN1 | |
| SCHEMBL1535338 | 0.72 | POLB (0.49) | CYP3A4IDO1POLBMEN1KMT2A | |
| SCHEMBL31356867 | 0.72 | POLB (0.49) | CYP3A4IDO1POLBMEN1KMT2A |
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-0973936-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998046786-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 1998-10-22 | — | — | WO | disclosed |