Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.43 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.43 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 14/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 14/20 | 0.39 |
| ▸ | GABRP | O00591 | 13/20 | 0.39 |
| ▸ | GABRD | O14764 | 13/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 13/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 13/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 13/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 13/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 13/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 13/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL39558 | 0.93 | ALDH1A1 (0.48) | CYP3A4ALDH1A1HPGDALOX15TSHR | |
| SCHEMBL10400917 | 0.80 | PKM (0.42) | CYP3A4ALDH1A1HPGDALOX15TSHR | |
| SCHEMBL10389921 | 0.80 | ALDH1A1 (0.37) | CYP3A4ALDH1A1HPGDALOX15TSHR | |
| SCHEMBL9526043 | 0.80 | TDP1 (0.50) | CYP3A4ALDH1A1HPGDALOX15TSHR | |
| SCHEMBL10389131 | 0.80 | ALDH1A1 (0.38) | CYP3A4ALDH1A1HPGDALOX15TSHR | |
| SCHEMBL6951629 | 0.80 | FGFR4 (0.46) | CYP3A4ALDH1A1HPGDALOX15TSHR | |
| SCHEMBL10400400 | 0.79 | PKM (0.40) | CYP3A4ALDH1A1HPGDALOX15TSHR | |
| Clopyralid SCHEMBL7586160 | 0.79 | GABRA2 (0.42) | CYP3A4ALDH1A1HPGDALOX15TSHR | |
| SCHEMBL7561759 | 0.78 | GABRA2 (0.42) | CYP3A4ALDH1A1HPGDALOX15TSHR | |
| Simazine SCHEMBL7581596 | 0.78 | GABRB3 (0.37) | CYP3A4TDP1GABRA2GABRB2GABRP |
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-4909832-A | Plant growth regulator | BAYER AKTIENGESELLSCHAFT (DE) | 1990-03-20 | — | — | US | claimed |
| EP-0335156-A1 | 5-Amino-1-phenylpyrazoles | BAYER AG (DE) | 1989-10-04 | — | — | EP | disclosed |