Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL45820 | 0.90 | ALDH1A1 (0.61) | ALDH1A1GLACYP2D6TP53TSHR | |
| SCHEMBL16258166 | 0.90 | ALDH1A1 (0.61) | ALDH1A1GLACYP2D6TP53TSHR | |
| SCHEMBL29354355 | 0.90 | ALDH1A1 (0.61) | ALDH1A1GLACYP2D6TP53TSHR | |
| SCHEMBL23171858 | 0.90 | ALDH1A1 (0.61) | ALDH1A1GLACYP2D6TP53TSHR | |
| SCHEMBL24942524 | 0.90 | ALDH1A1 (0.61) | ALDH1A1GLACYP2D6TP53TSHR | |
| SCHEMBL7977368 | 0.89 | ALDH1A1 (0.50) | ALDH1A1GLATP53TSHRHIF1A | |
| SCHEMBL22926788 | 0.86 | ALDH1A1 (0.49) | ALDH1A1GLACYP2D6TP53TSHR | |
| SCHEMBL16543342 | 0.85 | ALDH1A1 (0.55) | ALDH1A1GLACYP2D6TP53TSHR | |
| SCHEMBL18946156 | 0.84 | ALDH1A1 (0.54) | ALDH1A1GLATP53TSHRHIF1A | |
| SCHEMBL24383308 | 0.84 | ALDH1A1 (0.54) | ALDH1A1GLATP53TSHRHIF1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001017993-A1 | ALKYLPIPERIDI NYLBENZO [D] ISOXAZOLE DERIVATIVES HAVING PSYCHOTROPIC ACTIVITY, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE ACTIVE INGREDIENT | EGIS Gyógyszergyár Rt. (HU) | 2001-03-15 | — | — | WO | disclosed |