Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Trifluoroacetamide SCHEMBL6991362 | 0.72 | L3MBTL1 (0.36) | ALDH1A1LMNAL3MBTL1TP53PKM | |
| Trifluoroacetamide SCHEMBL6993217 | 0.68 | SLC6A2 (0.40) | ALDH1A1LMNAL3MBTL1TP53 | |
| SCHEMBL4071874 | 0.66 | SIGMAR1 (0.43) | CYP2D6USP2KMT2AMEN1PKM | |
| Formaldehyde SCHEMBL9556537 | 0.66 | SIGMAR1 (0.43) | CYP2D6USP2KMT2AMEN1PKM | |
| SCHEMBL5498128 | 0.65 | SIGMAR1 (0.49) | ALDH1A1CYP2D6USP2KMT2AMEN1 | |
| SCHEMBL6992863 | 0.65 | L3MBTL1 (0.45) | ALDH1A1LMNASMN1; SMN2L3MBTL1 | |
| SCHEMBL6989780 | 0.63 | SLC6A2 (0.46) | ALDH1A1LMNACYP2D6L3MBTL1TP53 | |
| SCHEMBL28958682 | 0.63 | OPRK1 (0.47) | ALDH1A1LMNASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL490857 | 0.63 | ALDH1A1 (0.53) | ALDH1A1HTTKMT2AMEN1HIF1A | |
| Trifluoroacetic Acid SCHEMBL4071872 | 0.62 | SIGMAR1 (0.43) | ALDH1A1CYP2D6USP2KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1015446-B1 | (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS | AVENTIS PHARMA INC (US) | 2003-04-02 | — | — | EP | disclosed |
| US-6004982-A | SIDE EFFECT REDUCTION; SCHIZOPHRENIA | HOECHST MARION ROUSSEL, INC. (US) | 1999-12-21 | — | — | US | disclosed |