Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | GLS2 | Q9UI32 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.31 |
| ▸ | TACR2 | P21452 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | SHBG | P04278 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9235961 | 0.91 | ACHE (0.38) | ACHEBACE1CYP19A1PTGS2ALOX5 | |
| SCHEMBL9236406 | 0.74 | TDP1 (0.44) | CYP19A1CYP3A4ALDH1A1 | |
| SCHEMBL8518767 | 0.64 | SCD (0.37) | — | |
| SCHEMBL7639225 | 0.62 | PTGS2 (0.39) | ACHEPTGS2CYP3A4ESR1ADRA2A | |
| Hexane SCHEMBL18764545 | 0.58 | TSHR (0.64) | ALDH1A1LMNAHSD17B10 | |
| Cyclohexane SCHEMBL10572382 | 0.58 | TSHR (0.64) | ALDH1A1LMNAHSD17B10 | |
| Cyclohexane SCHEMBL12475770 | 0.58 | TSHR (0.64) | ALDH1A1LMNAHSD17B10 | |
| Cyclohexane SCHEMBL5787824 | 0.58 | TSHR (0.64) | ALDH1A1LMNAHSD17B10 | |
| Cyclohexane SCHEMBL11423653 | 0.58 | TSHR (0.64) | ALDH1A1LMNAHSD17B10 | |
| Cyclohexane SCHEMBL10453382 | 0.58 | TSHR (0.64) | ALDH1A1LMNAHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995030652-A1 | SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-11-16 | — | — | WO | disclosed |