Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL29083942 | 0.80 | THRB (0.42) | ALDH1A1MAPTCNR2ESR1CNR1 | |
| SCHEMBL16330285 | 0.76 | MEN1 (0.43) | L3MBTL1ALDH1A1LMNASMN1; SMN2POLB | |
| SCHEMBL18378959 | 0.73 | ALDH1A1 (0.41) | L3MBTL1ALDH1A1SMN1; SMN2POLBKDM4E | |
| SCHEMBL5879482 | 0.72 | CYP3A4 (0.50) | ALDH1A1SMN1; SMN2GABRA1GABRB2POLB | |
| SCHEMBL12670383 | 0.72 | POLB (0.41) | L3MBTL1ALDH1A1LMNAGABRA1GABRB2 | |
| SCHEMBL5881994 | 0.71 | SRC (0.42) | L3MBTL1MAPK1ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL9629445 | 0.69 | L3MBTL1 (0.49) | L3MBTL1MAPK1ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL25559298 | 0.69 | GAA (0.39) | L3MBTL1MAPK1ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL14372999 | 0.69 | KDM4E (0.44) | L3MBTL1MAPK1ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL14594233 | 0.68 | CYP3A4 (0.46) | ALDH1A1SMN1; SMN2GABRA1GABRB2POLB |
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-20230220158-A1 | IONOMERS WITH MACROCYCLIC MOIETIES FOR ION CONDUCTIVITY AND PERMSELECTIVITY | NATIONAL SCIENCE FOUNDATION | 2023-07-13 | — | — | US | disclosed |