Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.30 |
| ▸ | CTSB | P07858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4265537 | 0.86 | HCAR2 (0.39) | ALDH1A1F2GLAHPGDLMNA | |
| SCHEMBL14175672 | 0.82 | CYP1A2 (0.39) | ALDH1A1LMNAATM | |
| SCHEMBL16310786 | 0.79 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL24369852 | 0.78 | MAPT (0.41) | ALDH1A1 | |
| SCHEMBL27808820 | 0.77 | CDK2 (0.38) | ALDH1A1F2GLAHPGDLMNA | |
| SCHEMBL27752731 | 0.77 | CDK2 (0.38) | ALDH1A1F2GLAHPGDLMNA | |
| SCHEMBL27912644 | 0.77 | CTSL (0.33) | ALDH1A1F2GLAHPGDLMNA | |
| SCHEMBL28062254 | 0.73 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL28062238 | 0.73 | KDM4E (0.33) | ALDH1A1HPGD | |
| SCHEMBL29498786 | 0.71 | GRM5 (0.46) | ALDH1A1ATM |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105473560-A | Therapeutically active compounds and methods of use thereof | AGIOS PHARMACEUTICALS INC | 2016-04-06 | — | — | CN | disclosed |