Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.67 |
| ▸ | HPGD | P15428 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
| ▸ | DRD3 | P35462 | 2/20 | 0.59 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.59 |
| ▸ | HTR3B | O95264 | 1/20 | 0.59 |
| ▸ | MPO | P05164 | 1/20 | 0.59 |
| ▸ | DRD2 | P14416 | 1/20 | 0.59 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.59 |
| ▸ | DRD4 | P21917 | 1/20 | 0.59 |
| ▸ | HTR2A | P28223 | 1/20 | 0.59 |
| ▸ | HTR2C | P28335 | 1/20 | 0.59 |
| ▸ | HTR2B | P41595 | 1/20 | 0.59 |
| ▸ | HTR3A | P46098 | 1/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL8771566 | 0.92 | ALDH1A1 (0.56) | ALDH1A1KDM4EHPGDLMNASLC22A1 | |
| SCHEMBL11755946 | 0.86 | ALDH1A1 (0.70) | ALDH1A1KDM4EHPGDLMNASLC22A1 | |
| SCHEMBL1543751 | 0.85 | CDK1 (0.62) | ALDH1A1KDM4EHPGDLMNASLC22A1 | |
| SCHEMBL7813262 | 0.84 | RECQL (0.68) | ALDH1A1LMNANOS2POLBTHRB | |
| SCHEMBL22447558 | 0.84 | ALDH1A1 (0.67) | ALDH1A1KDM4EHPGDLMNASLC22A1 | |
| Hydrochloric Acid SCHEMBL9144741 | 0.84 | CDK1 (0.60) | ALDH1A1KDM4EHPGDLMNASLC22A1 | |
| SCHEMBL9410278 | 0.83 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDLMNASLC22A1 | |
| SCHEMBL10533123 | 0.81 | ALDH1A1 (0.59) | ALDH1A1KDM4EHPGDLMNASLC22A1 | |
| SCHEMBL11689255 | 0.81 | NOS2 (0.63) | ALDH1A1HPGDLMNACYP1A2CYP2C19 | |
| SCHEMBL11374040 | 0.80 | ALDH1A1 (1.00) | ALDH1A1KDM4EHPGDLMNASLC22A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0620218-B1 | 2, 3-Dihydro-4(1H)-quinazolinones active in gastro-intestinal pathologies | ALFA WASSERMANN SPA (IT) | 1997-10-01 | — | — | EP | disclosed |
| US-5446152-A | Antiemetic agent | ALFA WASSERMANN S.P.A. (IT) | 1995-08-29 | — | — | US | disclosed |
| EP-0620218-A1 | Heterocyclic compounds active in gastro-intestinal pathologies | ALFA WASSERMANN S.p.A. (IT) | 1994-10-19 | — | — | EP | disclosed |