Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | GPR3 | P46089 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 8/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 2/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.33 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.33 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL14584046 | 0.77 | GPR3 (0.46) | KIF11GPR3ALDH1A1TSHRCYP1A2 | |
| SCHEMBL19556691 | 0.74 | KIF11 (0.50) | KIF11GPR3ALDH1A1TSHRGLA | |
| SCHEMBL28840681 | 0.73 | KIF11 (0.49) | KIF11GPR3ALDH1A1GLAHTT | |
| SCHEMBL13377484 | 0.69 | KDM4E (0.50) | KIF11GPR3ALDH1A1TSHRGLA | |
| SCHEMBL19556692 | 0.66 | KDM4E (0.58) | KIF11GPR3HSD11B1ALDH1A1TSHR | |
| SCHEMBL24188617 | 0.65 | GPR3 (0.39) | KIF11GPR3ALDH1A1TSHRCYP1A2 | |
| SCHEMBL1538491 | 0.64 | ALDH1A1 (0.45) | KIF11ALDH1A1TSHRCYP1A2GAA | |
| SCHEMBL21454578 | 0.63 | KIF11 (1.00) | KIF11GPR3ALDH1A1TSHRHTT | |
| SCHEMBL21454579 | 0.63 | KIF11 (0.81) | KIF11GPR3ALDH1A1HTTPGR | |
| SCHEMBL13903058 | 0.62 | ALDH1A1 (0.40) | KIF11ALDH1A1TSHRCYP1A2GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-4064139-A | TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS, ANTI-PARKINSON'S DISEASE | MERCK & CO., INC. (US) | 1977-12-20 | — | — | US | disclosed |