Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30669890 | 0.80 | ALDH1A1 (0.58) | TSHRCYP3A4ALDH1A1RECQLTDP1 | |
| SCHEMBL30040348 | 0.77 | ALDH1A1 (0.60) | TSHRCYP3A4ALDH1A1RECQLTDP1 | |
| SCHEMBL13176891 | 0.77 | TSHR (0.60) | TSHRCYP3A4ALDH1A1RECQLTDP1 | |
| SCHEMBL9107706 | 0.77 | ALDH1A1 (0.60) | TSHRCYP3A4ALDH1A1RECQLTDP1 | |
| SCHEMBL11321873 | 0.76 | ALDH1A1 (0.42) | TSHRCYP3A4ALDH1A1RECQLTDP1 | |
| SCHEMBL10073373 | 0.76 | ALDH1A1 (0.43) | TSHRCYP3A4ALDH1A1TDP1ALOX15 | |
| SCHEMBL11098649 | 0.75 | TSHR (0.49) | TSHRCYP3A4ALDH1A1RECQLTDP1 | |
| SCHEMBL17614759 | 0.75 | GPR35 (0.57) | TSHRCYP3A4ALDH1A1RECQLTDP1 | |
| SCHEMBL314000 | 0.74 | TSHR (0.61) | TSHRCYP3A4ALDH1A1RECQLTDP1 | |
| SCHEMBL8745991 | 0.74 | TSHR (0.56) | TSHRCYP3A4ALDH1A1RECQLTDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4430114-A | PREEMERGENCE, 5-//1-ETHYLPROPYL/AMINO/-4,6-DINITRO-O-TOLYLACETONITRILE | AMERICAN CYANAMID COMPANY (US) | 1984-02-07 | — | — | US | disclosed |
| US-4288385-A | 2,6-Dinitroaniline herbicides and use thereof | AMERICAN CYANAMID CO. | 1981-09-08 | — | — | US | disclosed |