Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | EDNRB | P24530 | 1/20 | 0.35 |
| ▸ | EDNRA | P25101 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL8990313 | 0.86 | LMNA (0.40) | ALDH1A1ALOX15KCNN4CYP3A4CYP2D6 | |
| SCHEMBL720308 | 0.84 | CNR1 (0.36) | — | |
| SCHEMBL24592645 | 0.83 | KCNN4 (0.40) | ALDH1A1ALOX15KCNN4CYP3A4CYP2D6 | |
| SCHEMBL663136 | 0.79 | ALDH1A1 (0.39) | ALDH1A1ALOX15KCNN4CYP3A4CYP2D6 | |
| SCHEMBL8990308 | 0.78 | CES1 (0.42) | ALDH1A1ALOX15KCNN4CYP3A4MAPK1 | |
| SCHEMBL7943850 | 0.78 | KDM4E (0.46) | ALDH1A1MAPK1LMNACYP2C19HIF1A | |
| SCHEMBL27983297 | 0.76 | KIF11 (0.38) | KCNN4CYP3A4CYP2D6MAPK1LMNA | |
| SCHEMBL11355373 | 0.74 | ALDH1A1 (0.41) | ALDH1A1ALOX15KCNN4CYP3A4CYP2D6 | |
| SCHEMBL3365376 | 0.74 | POLB (0.41) | ALDH1A1ALOX15KCNN4CYP3A4CYP2D6 | |
| SCHEMBL6631331 | 0.74 | ALDH1A1 (0.41) | ALDH1A1ALOX15KCNN4CYP3A4CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-7069952-A | — | — | None | — | — | JP | disclosed |
| US-5500484-A | FROM ALDEHYDE | KURARAY CO., LTD. (JP) | 1996-03-19 | — | — | US | disclosed |
| JP-H0769952-A | 2-ALKOXY-2-PHENYL-1,3-PROPANEDIOL OR DERIVATIVE THEREFROM, AND ITS PRODUCTION | KURARAY CO LTD | 1995-03-14 | — | — | JP | disclosed |
| EP-0641757-A1 | 2-Aryl-1,3-propanediol and dioxane derivatives and their preparation | KURARAY CO., LTD. (JP) | 1995-03-08 | — | — | EP | disclosed |