Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9194894 | 0.90 | ALDH1A1 (0.31) | TSHRALDH1A1 | |
| SCHEMBL8993489 | 0.85 | ALDH1A1 (0.34) | TSHRNPC1HTTNPSR1MEN1 | |
| SCHEMBL9189592 | 0.84 | TSHR (0.32) | TSHR | |
| SCHEMBL8993452 | 0.76 | NPC1 (0.33) | TSHRNPC1ALDH1A1 | |
| SCHEMBL8417857 | 0.73 | CYP4F2 (0.45) | TSHRHTTNPSR1MEN1ALDH1A1 | |
| SCHEMBL10395568 | 0.71 | ALDH1A1 (0.32) | TSHRALDH1A1CYP1A2MAPT | |
| SCHEMBL8993468 | 0.68 | IKBKB (0.42) | TSHRHTTMEN1ALDH1A1CYP1A2 | |
| SCHEMBL28902378 | 0.67 | METTL3 (0.34) | TSHRHTTNPSR1MEN1ALDH1A1 | |
| SCHEMBL13490661 | 0.66 | L3MBTL1 (0.46) | TSHRNPSR1ALDH1A1MAPTKMT2A | |
| SCHEMBL8993574 | 0.66 | ALDH1A1 (0.44) | TSHRALDH1A1MAPTKMT2A |
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 13 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 |
| 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-1990005712-A1 | CERTAIN 2-(2',3',4'-TRISUBSTITUTED BENZOYL)-1,3-CYCLOHEXANEDIONES | ICI AMERICAS INC. (US) | 1990-05-31 | — | — | WO | disclosed |
| WO-1990005715-A1 | TRISUBSTITUTED BENZOIC ACID INTERMEDIATES | ICI AMERICAS INC. (US) | 1990-05-31 | — | — | WO | disclosed |
| EP-0369803-A1 | Trisubstituted benzoic acid intermediates | ZENECA INC. (US) | 1990-05-23 | — | — | EP | disclosed |