Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 3/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PRKCI | P41743 | 1/20 | 0.33 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.30 |
| ▸ | LDHA | P00338 | 1/20 | 0.30 |
| ▸ | LDHB | P07195 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL7989382 | 0.90 | PRKCI (0.33) | GABRA1GABRB2KDM4EALDH1A1HPGD | |
| SCHEMBL7987973 | 0.86 | GABRA1 (0.38) | GABRA1GABRB2ESR1ESR2 | |
| SCHEMBL5318883 | 0.80 | CNR1 (0.35) | KDM4EALDH1A1HPGDPRKCILDHA | |
| SCHEMBL7455905 | 0.79 | TYR (0.42) | ESR1ESR2KDM4EALDH1A1HPGD | |
| SCHEMBL9355767 | 0.78 | NOS2 (0.39) | KDM4EALDH1A1HPGDHSD17B3LDHA | |
| SCHEMBL10496859 | 0.78 | NOS2 (0.32) | PRKCI | |
| SCHEMBL9356205 | 0.78 | TYR (0.41) | ESR1KDM4EALDH1A1HPGD | |
| SCHEMBL9173036 | 0.77 | — | — | |
| SCHEMBL821009 | 0.74 | — | — | |
| SCHEMBL980117 | 0.74 | CTRC (0.31) | ALDH1A1HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0457730-B1 | Process for preparation of thioderivatives of alkylhydroxyanilinotriazine | CIBA GEIGY AG (CH) | 1994-11-09 | — | — | EP | disclosed |
| US-5086173-A | Hydrogenating in presence of palladium catalyst without isolating the intermediates | CIBA-GEIGY CORPORATION (US) | 1992-02-04 | — | — | US | disclosed |
| EP-0457730-A2 | Process for preparation of thioderivatives of alkylhydroxyanilinotriazine | CIBA-GEIGY AG (CH) | 1991-11-21 | — | — | EP | disclosed |