Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.44 |
| ▸ | CLK1 | P49759 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31590951 | 0.83 | TDP1 (0.48) | HSD17B1DYRK1ADYRK1BHTTSMN1; SMN2 | |
| SCHEMBL40769 | 0.82 | SMN1; SMN2 (0.55) | HTTSMN1; SMN2POLBKMT2AMAPT | |
| SCHEMBL30475402 | 0.82 | SMN1; SMN2 (0.55) | HTTSMN1; SMN2POLBKMT2AMAPT | |
| SCHEMBL1758255 | 0.82 | HTT (0.61) | TSHRCASP1HSD17B1CLK1DYRK1A | |
| SCHEMBL1550819 | 0.80 | PKM (0.52) | TRPA1PTGS1CACNA1CTSHRCASP1 | |
| SCHEMBL71388 | 0.80 | KDM4E (0.64) | TSHRHTTSMN1; SMN2CYP1A2POLB | |
| SCHEMBL29555158 | 0.80 | KDM4E (0.64) | TSHRHTTSMN1; SMN2CYP1A2POLB | |
| SCHEMBL8484882 | 0.79 | CA12 (0.62) | POLBMAPTCA12CA1CA2 | |
| SCHEMBL1375362 | 0.78 | HDAC8 (0.41) | TSHRHSD17B1HTTSMN1; SMN2POLB | |
| SCHEMBL4546533 | 0.78 | HPGD (0.53) | TSHRSMN1; SMN2CYP3A4POLBKMT2A |
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-2009151621-A1 | SUBSTITUTED (1, 2, 4-0XADIAZ0L-3-YL) INDOLIN-1-YL CARBOXYLIC ACID DERIVATIVES USEFUL AS S1P1 AGONISTS | ARENA PHARMACEUTICALS, INC. (US) | 2009-12-17 | — | — | WO | disclosed |