Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8993535 | 0.86 | MAPT (0.45) | IKBKBCYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL9189187 | 0.85 | TSHR (0.38) | MAPTALDH1A1TSHRCA1CA2 | |
| SCHEMBL8417857 | 0.83 | CYP4F2 (0.45) | IKBKBCYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL9375326 | 0.82 | TSHR (0.47) | IKBKBCYP3A4CYP2D6MAPTCYP2C9 | |
| SCHEMBL9274041 | 0.75 | CYP1A2 (0.34) | CYP1A2CYP3A4CYP2D6MAPTCYP2C9 | |
| SCHEMBL6426583 | 0.75 | MAPT (0.41) | IKBKBCYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL9709898 | 0.75 | IKBKB (0.49) | IKBKBCYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL8493329 | 0.75 | ALDH1A1 (0.44) | IKBKBCYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL7976218 | 0.74 | PRKAB2 (0.37) | IKBKBCYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL6693760 | 0.74 | MEN1 (0.40) | IKBKBCYP1A2CYP3A4CYP2D6MAPT |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0369803-B2 | Trisubstituted benzoic acid intermediates | ZENECA INC (US) | 1996-08-14 | — | — | EP | disclosed |
| EP-0444152-B1 | CERTAIN 2-(2',3',4'-TRISUBSTITUTED BENZOYL)-1,3-CYCLOHEXANEDIONES | ZENECA INC (US) | 1995-06-14 | — | — | EP | disclosed |
| EP-0444143-B1 | TRISUBSTITUTED BENZOIC ACID INTERMEDIATES | ZENECA INC (US) | 1994-11-30 | — | — | EP | disclosed |
| US-5075497-A | Chemical intermediate for 2-(2,3,4-trisubstitutedbenzoyl)-1,3-cyclohexanedione | ICI AMERICAS, INC. (US) | 1991-12-24 | — | — | US | disclosed |
| US-5073642-A | Trisubstituted benzoic acid intermediates | ICI AMERICAS INC. (US) | 1991-12-17 | — | — | US | disclosed |
| US-5068423-A | Intermediates for herbicides 2-(2,3,4-trisubstituted benzoyl)-1,3-cyclohexanediones | ICI AMERICAS INC. (US) | 1991-11-26 | — | — | US | disclosed |
| US-5047572-A | For 2-*2,3,4-trisubstituted benzoyl)-1,3-cyclohexanedione | ICI AMERICAS INC. (US) | 1991-09-10 | — | — | US | disclosed |
| EP-0444152-A1 | CERTAIN 2-(2',3',4'-TRISUBSTITUTED BENZOYL)-1,3-CYCLOHEXANEDIONES. | ICI AMERICA INC (US) | 1991-09-04 | — | — | EP | disclosed |
| EP-0444143-A1 | TRISUBSTITUTED BENZOIC ACID INTERMEDIATES. | ICI AMERICA INC (US) | 1991-09-04 | — | — | EP | disclosed |
| US-5001256-A | Trisubstituted benzoic acid intermediates | ICI AMERICAS INC. (US) | 1991-03-19 | — | — | US | disclosed |
| US-4957538-A | HERBICIDES | ICI AMERICAS INC. (US) | 1990-09-18 | — | — | US | disclosed |
| WO-1990005715-A1 | TRISUBSTITUTED BENZOIC ACID INTERMEDIATES | ICI AMERICAS INC. (US) | 1990-05-31 | — | — | WO | disclosed |
| WO-1990005712-A1 | CERTAIN 2-(2',3',4'-TRISUBSTITUTED BENZOYL)-1,3-CYCLOHEXANEDIONES | ICI AMERICAS INC. (US) | 1990-05-31 | — | — | WO | disclosed |
| EP-0369803-A1 | Trisubstituted benzoic acid intermediates | ZENECA INC. (US) | 1990-05-23 | — | — | EP | disclosed |