Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | CASP2 | P42575 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL28498196 | 0.87 | FAAH (0.45) | ALDH1A1FAAHEPHX1CES2CES1 | |
| SCHEMBL28903590 | 0.85 | FAAH (0.53) | ALDH1A1FAAHEPHX1CES2CES1 | |
| SCHEMBL8530891 | 0.79 | ALDH1A1 (0.64) | ALDH1A1EPHX1CES2CES1HDAC3 | |
| SCHEMBL28937192 | 0.79 | ALDH1A1 (0.64) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL20503322 | 0.78 | EPHX1 (0.63) | ALDH1A1EPHX1CASP2ACHE | |
| SCHEMBL8158 | 0.77 | ALDH1A1 (1.00) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL30568759 | 0.77 | ALDH1A1 (1.00) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL7754237 | 0.76 | ALDH1A1 (0.58) | ALDH1A1EPHX1CES2CES1HDAC3 | |
| SCHEMBL473817 | 0.75 | — | — | |
| SCHEMBL10640242 | 0.75 | ALDH1A1 (0.94) | ALDH1A1CES2CES1HDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024092274-A2 | ENDOCYTIC AGENTS | BIOVENTURES, LLC (US) | 2024-05-02 | — | — | WO | disclosed |
| EP-0873123-A4 | INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES | UNIV PITTSBURGH (US) | 1999-02-03 | — | — | EP | disclosed |
| EP-0873123-A1 | INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES | UNIVERSITY OF PITTSBURGH (US) | 1998-10-28 | — | — | EP | disclosed |
| WO-1997017070-A1 | INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES | UNIVERSITY OF PITTSBURGH (US) | 1997-05-15 | — | — | WO | disclosed |