Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12410988 | 0.82 | SMN1; SMN2 (0.47) | TSHRPOLBCYP1A2CYP3A4GABRA1 | |
| SCHEMBL859 | 0.81 | POLB (0.50) | POLBLMNAHSD17B10SMN1; SMN2ALDH1A1 | |
| SCHEMBL6734669 | 0.81 | CYP1A2 (0.44) | TSHRPOLBCYP1A2CYP3A4GABRA1 | |
| SCHEMBL25435175 | 0.81 | ALDH1A1 (0.41) | TSHRPOLBCYP1A2CYP3A4GABRA1 | |
| SCHEMBL1299 | 0.81 | SMN1; SMN2 (0.45) | TSHRPOLBSMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL23754103 | 0.79 | TSHR (0.40) | TSHRPOLBCYP1A2CYP3A4GABRA1 | |
| SCHEMBL25033914 | 0.79 | ADORA3 (0.43) | TSHRPOLBCYP1A2CYP3A4GABRA1 | |
| SCHEMBL15273783 | 0.78 | HTR2C (0.43) | TSHRPOLBCYP1A2CYP3A4GABRA1 | |
| SCHEMBL6360335 | 0.77 | POLB (0.42) | TSHRPOLBLMNAHSD17B10SMN1; SMN2 | |
| SCHEMBL4419031 | 0.77 | GRN (0.42) | TSHRPOLBCYP1A2CYP3A4GABRA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009071707-A1 | NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES | GALAPAGOS NV (BE) | 2009-06-11 | — | — | WO | disclosed |