Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL20819282 | 0.86 | CYP3A4 (0.48) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL5548473 | 0.83 | GABRA1 (0.42) | CYP3A4TSHRALDH1A1GABRA1GABRB2 | |
| Ethylene SCHEMBL27977906 | 0.81 | GABRA1 (0.41) | CYP3A4TSHRALDH1A1GABRA1GABRB2 | |
| SCHEMBL1772134 | 0.81 | GABRA1 (0.41) | CYP3A4TSHRALDH1A1GABRA1GABRB2 | |
| SCHEMBL11292182 | 0.80 | CYP3A4 (0.46) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL479743 | 0.80 | CYP3A4 (0.46) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL249746 | 0.79 | IDO1 (0.54) | CYP3A4ALDH1A1HPGDHTTIDO1 | |
| SCHEMBL30956678 | 0.79 | IDO1 (0.54) | CYP3A4ALDH1A1HPGDHTTIDO1 | |
| Bromide SCHEMBL28225209 | 0.78 | IDO1 (0.52) | CYP3A4ALDH1A1HPGDHTTIDO1 | |
| SCHEMBL1334151 | 0.77 | GABRA1 (0.41) | CYP3A4TSHRALDH1A1GABRA1GABRB2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6255542-B1 | RING CHLORINATING 4-NITROALKYLBENZENE WITH CHLORINE OR CHLORING-RELEASING AGENT IN A LIQUID PHASE AND IN THE PRESENCE OF A FRIEDEL-CRAFTS CATALYST AND A DIARYL SULFIDE CO-CATALYST | BAYER AKTIENGESELLSCHAFT (DE) | 2001-07-03 | — | — | US | disclosed |