Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29134927 | 0.89 | ALDH1A1 (0.41) | ALDH1A1LMNANPSR1SMN1; SMN2CYP1A2 | |
| SCHEMBL2656929 | 0.79 | ALDH1A1 (0.46) | ALDH1A1LMNANPSR1SMN1; SMN2CYP1A2 | |
| SCHEMBL10951249 | 0.78 | ALDH1A1 (0.50) | ALDH1A1NPSR1SMN1; SMN2MAPTMAPK1 | |
| SCHEMBL2661556 | 0.75 | ALDH1A1 (0.43) | ALDH1A1LMNANPSR1SMN1; SMN2CYP1A2 | |
| SCHEMBL2928882 | 0.75 | MAPT (0.42) | ALDH1A1LMNANPSR1SMN1; SMN2CYP1A2 | |
| SCHEMBL10694212 | 0.74 | ALDH1A1 (0.56) | ALDH1A1LMNASMN1; SMN2CYP2C19MAPT | |
| SCHEMBL18797035 | 0.73 | LMNA (0.36) | ALDH1A1LMNANPSR1SMN1; SMN2CYP1A2 | |
| SCHEMBL7490885 | 0.73 | ALDH1A1 (0.51) | ALDH1A1NPSR1SMN1; SMN2MAPTMAPK1 | |
| SCHEMBL7443471 | 0.72 | MAPT (0.40) | ALDH1A1LMNANPSR1SMN1; SMN2CYP1A2 | |
| SCHEMBL10724781 | 0.72 | ABCB11 (0.42) | ALDH1A1LMNASMN1; SMN2CYP1A2MAPT |
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-4313967-A1 | KHK INHIBITORS | GILEAD SCIENCES, INC. (US) | 2024-02-07 | — | — | EP | disclosed |
| CN-117120429-A | KHK inhibitor | 吉利德科学公司 | 2023-11-24 | — | — | CN | disclosed |
| WO-2022212194-A1 | KHK INHIBITORS | GILEAD SCIENCES, INC. (US) | 2022-10-06 | — | — | WO | disclosed |