Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.53 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.53 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.53 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | VEGFA | P15692 | 1/20 | 0.39 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.38 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2612651 | 0.85 | TSHR (0.53) | TSHRALDH1A1TDP1CYP3A4ALOX15 | |
| SCHEMBL30855346 | 0.85 | TSHR (0.53) | TSHRALDH1A1TDP1CYP3A4ALOX15 | |
| SCHEMBL24118399 | 0.85 | ALDH1A1 (0.55) | TSHRALDH1A1TDP1CYP3A4ALOX15 | |
| SCHEMBL2054426 | 0.85 | TSHR (0.58) | TSHRALDH1A1TDP1CYP3A4ALOX15 | |
| SCHEMBL29659699 | 0.85 | TSHR (0.58) | TSHRALDH1A1TDP1CYP3A4ALOX15 | |
| SCHEMBL30469434 | 0.82 | TSHR (0.54) | TSHRALDH1A1TDP1CYP3A4ALOX15 | |
| SCHEMBL11033044 | 0.81 | ALDH1A1 (0.49) | TSHRALDH1A1TDP1CYP3A4ALOX15 | |
| SCHEMBL1018978 | 0.81 | GPR35 (0.49) | TSHRALDH1A1TDP1CYP3A4ALOX15 | |
| SCHEMBL28848348 | 0.79 | ALDH1A1 (0.48) | TSHRALDH1A1TDP1CYP3A4ALOX15 | |
| SCHEMBL11049725 | 0.78 | TSHR (0.50) | TSHRALDH1A1TDP1CYP3A4ALOX15 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4533777-A | HALOALKYLATION OF A BENZENE RING USING CARBON TETRACHLORIDE AND HYDROFLUORIC ACID | BAYER AKTIENGESELLSCHAFT (DE) | 1985-08-06 | — | — | US | disclosed |
| US-4297127-A | PREEMERGENCE HERBICIDES | AMERICAN CYANAMID COMPANY (US) | 1981-10-27 | — | — | US | disclosed |
| EP-0008453-B1 | PROCESS FOR PREPARING TRIFLUOROMETHYL AROMATIC COMPOUNDS | BAYER AG (DE) | 1981-04-29 | — | — | EP | disclosed |
| US-4251264-A | 4-CYANO SUBSTITUTED | AMERICAN CYANAMID COMPANY (US) | 1981-02-17 | — | — | US | disclosed |
| US-4227913-A | Inhibiting plant bud growth with substituted 2,6-dinitroanilines | AMERICAN CYANAMID COMPANY (US) | 1980-10-14 | — | — | US | disclosed |
| EP-0008453-A1 | Process for preparing trifluoromethyl aromatic compounds | BAYER AG (DE) | 1980-03-05 | — | — | EP | disclosed |
| US-4166908-A | SELECTIVE PREEMERGENT ACTIVITY | AMERICAN CYANAMID COMPANY (US) | 1979-09-04 | — | — | US | disclosed |
| US-4165231-A | 2,6-Dinitroaniline herbicides | AMERICAN CYANAMID COMPANY (US) | 1979-08-21 | — | — | US | disclosed |
| US-4124639-A | N-alkoxyalkyl-2,6-dinitroaniline herbicides | AMERICA CYANAMID COMPANY (US) | 1978-11-07 | — | — | US | disclosed |
| US-4123250-A | Inhibiting plant bud growth with substituted 2,6-di-nitroanilines | AMERICAN CYANAMID COMPANY (US) | 1978-10-31 | — | — | US | disclosed |
| US-4101582-A | 2,6-Dinitroaniline herbicides | AMERICAN CYANAMID COMPANY (US) | 1978-07-18 | — | — | US | disclosed |
| US-4025538-A | 2,6-Dinitroaniline herbicides | AMERICAN CYANAMID COMPANY (US) | 1977-05-24 | — | — | US | disclosed |