Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | IAPP | P10997 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL26046360 | 0.88 | POLB (0.47) | ALDH1A1THRBPOLBIMPDH2GAA | |
| SCHEMBL26046416 | 0.86 | IAPP (0.45) | ALDH1A1LMNAIAPPKDM4ESMN1; SMN2 | |
| SCHEMBL26046489 | 0.81 | HMGCR (0.36) | ALDH1A1LMNASMN1; SMN2MAPTL3MBTL1 | |
| SCHEMBL17616016 | 0.80 | CA2 (0.39) | ALDH1A1LMNAKDM4ESMN1; SMN2MAPT | |
| SCHEMBL26046414 | 0.76 | IAPP (0.44) | ALDH1A1LMNAIAPPKDM4ESMN1; SMN2 | |
| SCHEMBL15867566 | 0.74 | CA2 (0.43) | ALDH1A1LMNAKDM4ESMN1; SMN2MAPT | |
| SCHEMBL26046399 | 0.74 | ALDH1A1 (0.49) | ALDH1A1LMNAIAPPHPGDL3MBTL1 | |
| SCHEMBL26046355 | 0.74 | POLB (0.55) | ALDH1A1KDM4EMAPTTP53MEN1 | |
| SCHEMBL28608030 | 0.72 | TAAR1 (0.46) | ALDH1A1LMNAIAPPKDM4ESMN1; SMN2 | |
| SCHEMBL10753457 | 0.71 | AOC3 (0.53) | ALDH1A1LMNAIAPPKDM4ESMN1; 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 |
|---|---|---|---|---|---|---|---|
| US-11739354-B2 | Enzymatic synthesis of kavalactones and flavokavains | WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2023-08-29 | — | — | US | disclosed |