Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | HPN | P05981 | 1/20 | 0.47 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 5/20 | 0.46 |
| ▸ | CA2 | P00918 | 5/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 5/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | F13A1 | P00488 | 1/20 | 0.43 |
| ▸ | TGM2 | P21980 | 1/20 | 0.43 |
| ▸ | TGM1 | P22735 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17785833 | 0.94 | ALDH1A1 (0.65) | ALDH1A1HPNST14CA1CA2 | |
| SCHEMBL31258880 | 0.83 | ALDH1A1 (0.56) | ALDH1A1HPNST14CA1CA2 | |
| SCHEMBL30249936 | 0.83 | ALDH1A1 (0.56) | ALDH1A1HPNST14CA1CA2 | |
| SCHEMBL21815402 | 0.81 | ALDH1A1 (0.57) | ALDH1A1LMNACYP3A4MAPT | |
| SCHEMBL20099653 | 0.80 | KMT2A (0.50) | ALDH1A1 | |
| SCHEMBL25208191 | 0.79 | ALDH1A1 (0.51) | ALDH1A1HPNST14CA1CA2 | |
| SCHEMBL16333850 | 0.78 | MEN1 (0.59) | ALDH1A1HPNST14CA1CA2 | |
| SCHEMBL18824341 | 0.77 | ALDH1A1 (0.62) | ALDH1A1LMNACYP3A4MAPT | |
| SCHEMBL1250612 | 0.76 | ALDH1A1 (0.53) | ALDH1A1CYP3A4MAPT | |
| SCHEMBL1250614 | 0.76 | ALDH1A1 (0.53) | ALDH1A1CYP3A4MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3856737-B1 | HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | HOFFMANN LA ROCHE (CH) | 2023-05-17 | — | — | EP | disclosed |
| CN-112752755-A | Heterocyclyl compounds for the treatment of autoimmune diseases | 豪夫迈·罗氏有限公司 | 2021-05-04 | — | — | CN | disclosed |