Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 11/20 | 0.58 |
| ▸ | RAB9A | P51151 | 11/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.58 |
| ▸ | RELA | Q04206 | 1/20 | 0.58 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.58 |
| ▸ | MAPK13 | O15264 | 6/20 | 0.57 |
| ▸ | MAPK12 | P53778 | 6/20 | 0.57 |
| ▸ | MAPK11 | Q15759 | 6/20 | 0.57 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL20142268 | 0.90 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL20142076 | 0.89 | CYP2C19 (0.47) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL20142410 | 0.89 | NPC1 (0.57) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL20142180 | 0.89 | NPC1 (0.59) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL20142837 | 0.89 | RAB9A (0.50) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL20142450 | 0.86 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL20142421 | 0.86 | LCK (0.44) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL20142095 | 0.86 | MAPK13 (0.46) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL20142418 | 0.86 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL20142254 | 0.84 | NPC1 (0.60) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018089902-A1 | DIAMINOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | APOGEE BIOTECHNOLOGY CORPORATION (US) | 2018-05-17 | — | — | WO | claimed |
| WO-2018089902-A1 | DIAMINOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | APOGEE BIOTECHNOLOGY CORPORATION (US) | 2018-05-17 | — | — | WO | disclosed |