Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.50 |
| ▸ | RARB | P10826 | 1/20 | 0.46 |
| ▸ | RARG | P13631 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 2/20 | 0.42 |
| ▸ | RXRB | P28702 | 2/20 | 0.42 |
| ▸ | RXRG | P48443 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18388718 | 0.83 | TSHR (0.48) | NR1H4SRD5A2RARBRARGTSHR | |
| SCHEMBL9184984 | 0.81 | TSHR (0.50) | NR1H4SRD5A2RARBRARGTSHR | |
| SCHEMBL16750076 | 0.79 | SRD5A2 (0.55) | NR1H4SRD5A2RARBRARGEPHX2 | |
| SCHEMBL6653050 | 0.76 | ALDH1A1 (0.38) | EPHX2TSHRCES2CES1ALDH1A1 | |
| SCHEMBL9181913 | 0.75 | ALDH1A1 (0.46) | NR1H4SRD5A2TSHRTP53RXRA | |
| SCHEMBL25237701 | 0.75 | AOC3 (0.50) | ALDH1A1SMN1; SMN2CYP2D6HIF1A | |
| SCHEMBL8930612 | 0.75 | AOC3 (0.50) | ALDH1A1SMN1; SMN2CYP2D6HIF1A | |
| SCHEMBL13917839 | 0.74 | SRD5A2 (0.63) | NR1H4SRD5A2RARBRARGEPHX2 | |
| SCHEMBL107049 | 0.74 | SRD5A2 (0.63) | NR1H4SRD5A2RARBRARGEPHX2 | |
| SCHEMBL1615367 | 0.73 | TSHR (0.50) | SRD5A2TSHRTP53RXRARXRB |
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-6008401-A | CONDENSATION REACTION BETWEEN 4-HALO OR NITRO SUBSTITUTED BENZONITRILE DERIVATIVE AND OTICALLY ACTIVE ALCOHOL PRODUCES AN OPTICALLY ACTIVE ALKOXYBENZONITRILE DERIVATIVE | NIPPON OIL CO., LTD. (JP) | 1999-12-28 | — | — | US | disclosed |