Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGB1 | P09429 | 1/20 | 0.44 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.44 |
| ▸ | SHBG | P04278 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.40 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.40 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.40 |
| ▸ | IDH1 | O75874 | 1/20 | 0.40 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | BCL2 | P10415 | 1/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
| ▸ | NQO1 | P15559 | 1/20 | 0.37 |
| ▸ | LDHA | P00338 | 1/20 | 0.37 |
| ▸ | LDHB | P07195 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5009340 | 0.85 | CYP2C9 (0.50) | HMGB1CXCL12SHBGPTPN1PTPN2 | |
| SCHEMBL9480008 | 0.82 | HMGB1 (0.55) | HMGB1CXCL12SHBGPTPN1PTPN2 | |
| SCHEMBL9861446 | 0.81 | LIMK1 (0.39) | PTPN1IDH1CALM1 | |
| SCHEMBL14421387 | 0.79 | ESR1 (0.42) | IDH1ESR1ESR2 | |
| SCHEMBL14549313 | 0.78 | IDH1 (0.55) | HMGB1CXCL12SHBGPTPN1PTPN2 | |
| SCHEMBL14421389 | 0.76 | ALDH1A1 (0.38) | SHBG | |
| SCHEMBL19730338 | 0.76 | CYP2C9 (0.55) | HMGB1CXCL12SHBGESR1ESR2 | |
| SCHEMBL31146662 | 0.76 | SHBG (0.61) | HMGB1CXCL12SHBGPTPN1PTPN2 | |
| SCHEMBL10826334 | 0.75 | PTPN1 (0.47) | HMGB1CXCL12SHBGPTPN1PTPN2 | |
| SCHEMBL5386974 | 0.75 | IDH1 (0.61) | IDH1CALM1ESR1ESR2BCL2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5008425-A | Trifluoromethylation of carbonyl compounds | ETHYL CORPORATION (US) | 1991-04-16 | — | — | US | disclosed |
| EP-0336371-A2 | Gem-disubstituted cyclohexadienones and their production | ETHYL CORPORATION (US) | 1989-10-11 | — | — | EP | disclosed |
| US-4871877-A | Gem-disubstituted cyclohexadienones and their production | ETHYL CORPORATION (US) | 1989-10-03 | — | — | US | disclosed |
| US-4845258-A | Production of gem-disubstituted cyclohexadienones | ETHYL CORPORATION (US) | 1989-07-04 | — | — | US | disclosed |
| US-4804774-A | Production of gem-disubstituted cyclohexadienones | ETHYL CORPORATION (US) | 1989-02-14 | — | — | US | disclosed |
| US-4804772-A | Gem-disubstituted cyclohexadienones and their production | ETHYL CORPORATION (US) | 1989-02-14 | — | — | US | disclosed |
| US-4804773-A | Production of gem-disubstituted cyclohexadienones | ETHYL CORPORATION (US) | 1989-02-14 | — | — | US | disclosed |