Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | METAP2 | P50579 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30300550 | 0.62 | GNAI3 (0.55) | TACR1IDO1CYP2D6 | |
| SCHEMBL9799960 | 0.62 | IDO1 (0.39) | TACR1IDO1ABCB1CYP2D6 | |
| SCHEMBL8321854 | 0.62 | TACR1 (0.47) | TACR1IDO1CYP2D6 | |
| SCHEMBL27772295 | 0.60 | IDO1 (0.64) | IDO1ALDH1A1GAAABCB1 | |
| SCHEMBL4383704 | 0.60 | IDO1 (0.46) | TACR1IDO1ALDH1A1HRH3GAA | |
| SCHEMBL12012194 | 0.60 | SLC6A4 (0.47) | TACR1IDO1ALDH1A1ABCB1 | |
| SCHEMBL31290863 | 0.60 | IDO1 (0.69) | IDO1ALDH1A1GAAABCB1 | |
| SCHEMBL26654 | 0.60 | IDO1 (0.69) | IDO1ALDH1A1GAAABCB1 | |
| SCHEMBL10607688 | 0.60 | IDO1 (0.69) | IDO1ALDH1A1GAAABCB1 | |
| SCHEMBL31048 | 0.60 | IDO1 (0.69) | IDO1ALDH1A1GAAABCB1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6803382-B2 | 1-OXASPIRO(2,5)OCTAN-6-OL DERIVATIVES | GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) | 2004-10-12 | — | — | US | disclosed |