Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PNMT | P11086 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL4026046 | 1.00 | CYP3A4 (0.48) | CYP3A4ALDH1A1NPSR1KDM1ATTR | |
| SCHEMBL12107538 | 0.83 | CYP3A4 (0.54) | CYP3A4ALDH1A1NPSR1KDM1AKDM4E | |
| SCHEMBL1755262 | 0.81 | MAPT (0.49) | CYP3A4ALDH1A1NPSR1KDM1AKDM4E | |
| SCHEMBL1291043 | 0.81 | TTR (0.40) | CYP3A4TTRKDM4ERAPGEF4IDO1 | |
| SCHEMBL540384 | 0.80 | ALDH1A1 (0.40) | CYP3A4ALDH1A1TTRKDM4ECCR2 | |
| SCHEMBL29377856 | 0.80 | ALDH1A1 (0.40) | CYP3A4ALDH1A1TTRKDM4ECCR2 | |
| SCHEMBL92958 | 0.79 | S1PR1 (0.51) | CYP3A4ALDH1A1NPSR1KDM1ATTR | |
| SCHEMBL109221 | 0.79 | CYP3A4 (0.52) | CYP3A4ALDH1A1NPSR1KDM1APNMT | |
| SCHEMBL9073026 | 0.79 | CYP3A4 (0.46) | CYP3A4ALDH1A1NPSR1KDM1AKDM4E | |
| SCHEMBL3763570 | 0.79 | CYP3A4 (0.46) | CYP3A4ALDH1A1NPSR1KDM1AKDM4E |
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-4271672-A1 | CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2023-11-08 | — | — | EP | disclosed |
| CN-115916176-A | Inhibitors of alpha 2 beta 1 integrin and methods of use thereof | 加利福尼亚大学董事会 | 2023-04-04 | — | — | CN | disclosed |
| WO-2022225941-A1 | CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2022-10-27 | — | — | WO | disclosed |