Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.40 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL401131 | 0.85 | KMT2A (0.53) | ALDH1A1CYP1A2CYP2C19CYP2D6HPGD | |
| SCHEMBL403444 | 0.82 | CA12 (0.54) | ALDH1A1CYP1A2CYP2C19CYP2D6HPGD | |
| SCHEMBL1980076 | 0.82 | NOTUM (0.56) | ALDH1A1CYP1A2CYP2C19CYP2D6HPGD | |
| SCHEMBL1014238 | 0.81 | RORC (0.56) | PDK1RORCKCNQ3KCNQ2KMT2A | |
| SCHEMBL2536671 | 0.81 | TSHR (0.47) | ALDH1A1PDK1MAPTALOX12HDAC1 | |
| SCHEMBL16956910 | 0.81 | ALDH1A1 (0.44) | ALDH1A1PDK1CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL1287590 | 0.81 | ALDH1A1 (0.73) | ALDH1A1CYP1A2CYP2C19CYP2D6HPGD | |
| SCHEMBL7353148 | 0.80 | PDE4B (0.54) | ALDH1A1PDK1CYP1A2CYP2C19HPGD | |
| SCHEMBL2567410 | 0.80 | ALDH1A1 (0.53) | ALDH1A1PDK1CYP1A2CYP2C19HPGD | |
| SCHEMBL16605593 | 0.78 | MAPT (0.55) | ALDH1A1CYP1A2HPGDMAPTGAA |
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 |