Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11280548 | 0.84 | CYP3A4 (0.44) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL11280549 | 0.82 | CYP3A4 (0.40) | CYP3A4GABRA1GABRB2 | |
| SCHEMBL6544263 | 0.81 | CYP3A4 (0.52) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL31318368 | 0.81 | CYP3A4 (0.52) | CYP3A4GABRA1GABRB2TRPA1ATM | |
| SCHEMBL58726 | 0.81 | CYP3A4 (0.52) | CYP3A4GABRA1GABRB2TRPA1ATM | |
| SCHEMBL4736911 | 0.79 | CYP3A4 (0.43) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL12197004 | 0.78 | CYP3A4 (0.38) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL6704455 | 0.76 | CYP3A4 (0.47) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL10600545 | 0.76 | NPC1 (0.36) | NPC1LMNAMAPK1CASP3RAB9A | |
| SCHEMBL10959911 | 0.74 | CYP3A4 (0.39) | CYP3A4GABRA1GABRB2 |
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 |