Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.35 |
| ▸ | HTR3B | O95264 | 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 | |
|---|---|---|---|---|
| SCHEMBL8592479 | 0.91 | ALDH1A1 (0.43) | ALDH1A1ABCB11NR3C1CYP1A2CYP3A4 | |
| SCHEMBL29644492 | 0.80 | ALDH1A1 (0.52) | ACHEALDH1A1ABCB11NR3C1CYP1A2 | |
| SCHEMBL29401009 | 0.80 | ALDH1A1 (0.52) | ALDH1A1ABCB11NR3C1CYP1A2CYP3A4 | |
| SCHEMBL458499 | 0.80 | ALDH1A1 (0.52) | ALDH1A1ABCB11NR3C1CYP1A2CYP3A4 | |
| SCHEMBL160878 | 0.80 | ALDH1A1 (0.52) | ACHEALDH1A1ABCB11NR3C1CYP1A2 | |
| SCHEMBL348805 | 0.80 | ALDH1A1 (0.52) | ACHEALDH1A1ABCB11NR3C1CYP1A2 | |
| SCHEMBL30298614 | 0.80 | ALDH1A1 (0.52) | ACHEALDH1A1ABCB11NR3C1CYP1A2 | |
| Acetonitrile SCHEMBL27878183 | 0.75 | ALDH1A1 (0.44) | ALDH1A1ABCB11NR3C1CYP1A2CYP3A4 | |
| Pentachlorophenol SCHEMBL10685234 | 0.73 | ALDH1A1 (0.40) | ALDH1A1ABCB11NR3C1CYP1A2CYP3A4 | |
| SCHEMBL2769195 | 0.70 | ALDH1A1 (0.46) | ACHEALDH1A1ABCB11NR3C1CYP1A2 |
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 |