Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | FNTA | P49354 | 1/20 | 0.43 |
| ▸ | FNTB | P49356 | 1/20 | 0.43 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22096935 | 0.86 | CES2 (0.56) | ALDH1A1LMNAKDM4EL3MBTL1KMT2A | |
| SCHEMBL6851905 | 0.86 | CES2 (0.56) | ALDH1A1LMNAKDM4EL3MBTL1KMT2A | |
| SCHEMBL23934177 | 0.85 | ALDH1A1 (0.47) | ALDH1A1LMNAKDM4EKMT2ATHRB | |
| SCHEMBL9408920 | 0.83 | PDE4B (0.49) | ALDH1A1LMNAKDM4ECES2CES1 | |
| SCHEMBL23934179 | 0.83 | RAB9A (0.47) | L3MBTL1KMT2ASMN1; SMN2MEN1NPC1 | |
| SCHEMBL9815578 | 0.81 | CES2 (0.57) | LMNAL3MBTL1THRBFNTAFNTB | |
| SCHEMBL8523377 | 0.77 | THRB (0.49) | ALDH1A1LMNATHRBFNTAFNTB | |
| SCHEMBL22097002 | 0.77 | HDAC1 (0.50) | ALDH1A1LMNAKDM4EKMT2ASMN1; SMN2 | |
| SCHEMBL4839086 | 0.74 | HSD17B3 (0.71) | ALDH1A1LMNAKDM4EL3MBTL1KMT2A | |
| SCHEMBL9408940 | 0.74 | THRB (0.45) | LMNAKMT2ATHRBFNTAFNTB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3896053-A1 | METHOD FOR DIRECTLY CONSTRUCTING TETRA-SUBSTITUTED ALLENIC ACID COMPOUND HAVING HIGH OPTICAL ACTIVITY | Fudan University (CN) | 2021-10-20 | — | — | EP | disclosed |