Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | TP53 | P04637 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 7/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5226237 | 0.89 | ALDH1A1 (0.51) | ALDH1A1TP53TSHRHIF1ACYP3A4 | |
| SCHEMBL12744090 | 0.82 | APP (0.46) | ALDH1A1CYP1A2APPF2RL3TLR7 | |
| SCHEMBL17929608 | 0.78 | TLR7 (0.52) | ALDH1A1MAPTMEN1KMT2AAPP | |
| SCHEMBL17929607 | 0.78 | APP (0.49) | TP53SMN1; SMN2MAPTMEN1KMT2A | |
| SCHEMBL17929615 | 0.78 | TLR7 (0.52) | ALDH1A1MAPTMEN1KMT2AAPP | |
| SCHEMBL17929614 | 0.78 | APP (0.49) | TP53SMN1; SMN2MAPTMEN1KMT2A | |
| SCHEMBL12744060 | 0.78 | F2RL3 (0.49) | ALDH1A1SMN1; SMN2CYP1A2APPLMNA | |
| SCHEMBL3221023 | 0.78 | CA12 (0.54) | CYP1A2APPF2RL3TLR7 | |
| SCHEMBL13254499 | 0.77 | TLR7 (0.51) | TDP1TLR7 | |
| SCHEMBL12744048 | 0.77 | APP (0.62) | MAPTCYP1A2APPF2RL3TLR7 |
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 |