Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
| ▸ | NOS2 | P35228 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | RAC1 | P63000 | 1/20 | 0.38 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7528335 | 0.93 | CYP3A4 (0.45) | CYP3A4TRPA1NOS3NOS1NOS2 | |
| SCHEMBL29648814 | 0.89 | CYP3A4 (0.47) | CYP3A4TRPA1NOS3NOS1NOS2 | |
| SCHEMBL75112 | 0.89 | CYP3A4 (0.47) | CYP3A4TRPA1NOS3NOS1NOS2 | |
| SCHEMBL7728938 | 0.85 | KCNK3 (0.38) | CYP3A4TRPA1NOS3NOS1NOS2 | |
| SCHEMBL29541215 | 0.84 | CYP3A4 (0.64) | CYP3A4TRPA1MEN1KMT2ANPC1 | |
| SCHEMBL93287 | 0.84 | CYP3A4 (0.64) | CYP3A4TRPA1MEN1KMT2ANPC1 | |
| Ammonia Solution, Strong SCHEMBL28143069 | 0.82 | CYP3A4 (0.61) | CYP3A4TRPA1MEN1KMT2ANPC1 | |
| SCHEMBL3460968 | 0.79 | CYP3A4 (0.66) | CYP3A4TRPA1NOS3NOS1NOS2 | |
| SCHEMBL10624633 | 0.78 | CYP3A4 (0.47) | CYP3A4TRPA1NOS3NOS1NOS2 | |
| SCHEMBL7394961 | 0.78 | CYP3A4 (0.57) | CYP3A4TRPA1MEN1KMT2ANPC1 |
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-0973936-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 2000-01-26 | — | — | EP | disclosed |
| EP-0880558-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-12-02 | — | — | EP | disclosed |
| WO-1998046786-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | 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 |