Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.30 |
| ▸ | FLT1 | P17948 | 1/20 | 0.30 |
| ▸ | FLT4 | P35916 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
| ▸ | ABL1 | P00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL9189589 | 0.84 | TSHR (0.32) | TSHRTNFRSF1AALDH1A1 | |
| SCHEMBL8993489 | 0.80 | ALDH1A1 (0.34) | NPC1TSHRRECQLTDP1ALDH1A1 | |
| SCHEMBL8993460 | 0.76 | TSHR (0.32) | NPC1TSHRALDH1A1 | |
| SCHEMBL8993484 | 0.71 | PRKAB2 (0.36) | TSHRPOLBRECQLTDP1ALDH1A1 | |
| SCHEMBL8993574 | 0.69 | ALDH1A1 (0.44) | TSHRTDP1ALDH1A1 | |
| SCHEMBL8417857 | 0.68 | CYP4F2 (0.45) | TSHRALDH1A1 | |
| SCHEMBL8312122 | 0.67 | HPD (0.36) | NPC1POLBTHRBRECQLTDP1 | |
| SCHEMBL13490661 | 0.66 | L3MBTL1 (0.46) | TSHRPOLBL3MBTL1ALDH1A1 | |
| SCHEMBL10395568 | 0.66 | ALDH1A1 (0.32) | TSHRTDP1ALDH1A1 | |
| SCHEMBL8993535 | 0.66 | MAPT (0.45) | ALDH1A1 |
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-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 |