Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | CCKBR | P32239 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6851905 | 0.83 | CES2 (0.56) | KDM4EALDH1A1CES2CES1LMNA | |
| SCHEMBL22096935 | 0.83 | CES2 (0.56) | KDM4EALDH1A1CES2CES1LMNA | |
| SCHEMBL4931148 | 0.79 | SMN1; SMN2 (0.69) | HDAC1SMN1; SMN2HDAC3HDAC2KDM4E | |
| SCHEMBL30161792 | 0.79 | SMN1; SMN2 (0.69) | HDAC1SMN1; SMN2HDAC3HDAC2KDM4E | |
| SCHEMBL9815578 | 0.79 | CES2 (0.57) | CES2CES1LMNA | |
| SCHEMBL23934249 | 0.77 | ALDH1A1 (0.44) | SMN1; SMN2KDM4ENPC1RAB9AALDH1A1 | |
| SCHEMBL9408920 | 0.77 | PDE4B (0.49) | HDAC1HDAC3HDAC2KDM4ENPC1 | |
| SCHEMBL23934177 | 0.76 | ALDH1A1 (0.47) | HDAC1HDAC3HDAC2KDM4EHPGD | |
| Beta-Naphtoic Acid SCHEMBL27996691 | 0.75 | TP53 (0.58) | HDAC1SMN1; SMN2HDAC3HDAC2NPC1 | |
| Hydrochloric Acid SCHEMBL6781734 | 0.75 | CES2 (0.57) | SMN1; SMN2KDM4EHPGDNPC1RAB9A |
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 2 patents. 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 |
| WO-2020119549-A1 | METHOD FOR DIRECTLY CONSTRUCTING TETRA-SUBSTITUTED ALLENIC ACID COMPOUND HAVING HIGH OPTICAL ACTIVITY | 复旦大学 | 2020-06-18 | — | — | WO | disclosed |