Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.45 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PRNP | P04156 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL558543 | 0.81 | ENPP3 (0.47) | ALDH1A1ENPP3ENPP1MAPTSMN1; SMN2 | |
| SCHEMBL14842961 | 0.78 | SSTR4 (0.39) | ALDH1A1MAPTSMN1; SMN2CYP2A6ADORA1 | |
| SCHEMBL29209692 | 0.78 | HRH4 (0.47) | ALDH1A1ENPP3ENPP1MAPTSMN1; SMN2 | |
| SCHEMBL30881846 | 0.78 | HRH4 (0.47) | ALDH1A1ENPP3ENPP1MAPTSMN1; SMN2 | |
| SCHEMBL6025148 | 0.78 | MAPT (0.44) | ALDH1A1ENPP3ENPP1MAPTSMN1; SMN2 | |
| SCHEMBL3242174 | 0.78 | PARP1 (0.47) | ALDH1A1MAPTSMN1; SMN2GAACYP2A6 | |
| SCHEMBL2712257 | 0.76 | ALDH1A1 (0.55) | ALDH1A1ENPP3ENPP1MAPTSMN1; SMN2 | |
| SCHEMBL23497072 | 0.75 | ALDH1A1 (0.44) | ALDH1A1ENPP3ENPP1BACE1CYP1A2 | |
| SCHEMBL29829159 | 0.75 | ALDH1A1 (0.44) | ALDH1A1ENPP3ENPP1BACE1CYP1A2 | |
| SCHEMBL7748193 | 0.75 | KDM4E (0.54) | ALDH1A1MAPTSMN1; SMN2GAAKMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118026880-A | Aryl amide compound, pharmaceutical composition containing same and application thereof | 华东师范大学 | 2024-05-14 | — | — | CN | disclosed |
| EP-0966442-B1 | QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST ACTIVITY | DUPHAR INT RES (NL) | 2006-12-20 | — | — | EP | disclosed |
| US-6350750-B1 | TREATMENT OF STRESS-RELATED DISORDERS; ARYLATION WITH BORONIC ACID DERIVATIVE, AMINATION | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 2002-02-26 | — | — | US | disclosed |
| EP-0966442-A1 | QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST ACTIVITY | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1999-12-29 | — | — | EP | disclosed |
| WO-1999012908-A1 | QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST ACTIVITY | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1999-03-18 | — | — | WO | disclosed |