Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19631731 | 1.00 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1TSHRKMT2AMEN1 | |
| SCHEMBL19631829 | 0.87 | CYP3A4 (0.45) | ALDH1A1TSHRSMN1; SMN2GRIN2B | |
| SCHEMBL19631816 | 0.86 | KDM4E (0.45) | ALDH1A1L3MBTL1TSHRKMT2AMEN1 | |
| SCHEMBL19632022 | 0.86 | SIGMAR1 (0.46) | ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL19631756 | 0.86 | SIGMAR1 (0.46) | ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL19631576 | 0.86 | CYP2D6 (0.39) | ALDH1A1L3MBTL1TSHRLMNAGRM4 | |
| SCHEMBL19615125 | 0.86 | SIGMAR1 (0.46) | ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL19631606 | 0.85 | ALDH1A1 (0.33) | ALDH1A1TSHRGRM4 | |
| SCHEMBL19631938 | 0.85 | OPRM1 (0.42) | ALDH1A1TSHRKMT2AMEN1KDM4E | |
| SCHEMBL19631920 | 0.84 | SIGMAR1 (0.40) | TSHRKMT2AMEN1MAPTSMN1; SMN2 |
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-2017198339-A1 | TETRAHYDROPYRAN AND THIOPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2017-11-23 | — | — | WO | disclosed |