Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 1/20 | 0.47 |
| ▸ | ADH1C | P00326 | 1/20 | 0.47 |
| ▸ | ADH1A | P07327 | 1/20 | 0.47 |
| ▸ | ADH7 | P40394 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24014177 | 0.78 | ALDH1A1 (0.50) | ALOX12ALDH1A1HPGDMAPTMEN1 | |
| SCHEMBL16903733 | 0.78 | ADH1B (0.47) | ADH1BADH1CADH1AADH7ALOX12 | |
| SCHEMBL15075659 | 0.76 | ADH1B (0.46) | ADH1BADH1CADH1AADH7ALOX12 | |
| SCHEMBL21095906 | 0.75 | ADH1B (0.44) | ADH1BADH1CADH1AADH7ALOX12 | |
| SCHEMBL10151057 | 0.75 | ADH1B (0.53) | ADH1BADH1CADH1AADH7ALOX12 | |
| SCHEMBL21095759 | 0.75 | ADH1B (0.44) | ADH1BADH1CADH1AADH7ALOX12 | |
| SCHEMBL21210266 | 0.74 | ADH1B (0.43) | ADH1BADH1CADH1AADH7ALDH1A1 | |
| SCHEMBL3084417 | 0.73 | ADH1B (0.60) | ADH1BADH1CADH1AADH7ALOX12 | |
| SCHEMBL20344648 | 0.73 | ADH1B (0.46) | ADH1BADH1CADH1AADH7ALDH1A1 | |
| SCHEMBL627479 | 0.72 | ADH1B (0.54) | ADH1BADH1CADH1AADH7ALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023165943-A1 | 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-09-07 | — | — | WO | disclosed |
| EP-3683207-B1 | N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B | CADENT THERAPEUTICS INC (US) | 2021-12-29 | — | — | EP | disclosed |