Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.59 |
| ▸ | RAB9A | P51151 | 2/20 | 0.59 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | PDE4A | P27815 | 2/20 | 0.53 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.53 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.53 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.53 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL30622576 | 0.89 | PDE4A (0.65) | NPC1RAB9ANOX1SMN1; SMN2HPGD | |
| SCHEMBL17844309 | 0.89 | PDE4A (0.65) | NPC1RAB9ANOX1SMN1; SMN2HPGD | |
| SCHEMBL1561673 | 0.87 | LPAR1 (0.56) | NPC1RAB9ANOX1SMN1; SMN2MAPT | |
| SCHEMBL20887673 | 0.86 | TDP1 (0.54) | RAB9AHPGDMAPTPDE4APDE4B | |
| SCHEMBL17844325 | 0.86 | HPGD (0.57) | NPC1RAB9AHPGDMAPTPDE4A | |
| SCHEMBL2063068 | 0.86 | SMN1; SMN2 (0.73) | NPC1RAB9ASMN1; SMN2HPGDMAPT | |
| SCHEMBL2149738 | 0.84 | MAPT (0.66) | SMN1; SMN2HPGDMAPTCYP1A2CYP3A4 | |
| SCHEMBL8890661 | 0.83 | PDE4A (0.73) | NPC1RAB9APDE4APDE4BPDE4C | |
| SCHEMBL5767014 | 0.83 | MAPT (0.64) | SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9 | |
| Bicarbonate SCHEMBL5499351 | 0.83 | SMN1; SMN2 (0.68) | NPC1RAB9ASMN1; SMN2HPGDMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3233847-A1 | AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS | GenKyoTex Suisse SA (CH) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016098005-A1 | AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS | GENKYOTEX SA (CH) | 2016-06-23 | — | — | WO | disclosed |