Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.33 |
| ▸ | MAPT | P10636 | 6/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | USP2 | O75604 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20400199 | 0.88 | BTK (0.38) | ITKBTKNPC1RAB9AALDH1A1 | |
| SCHEMBL20400198 | 0.88 | BTK (0.38) | ITKBTKNPC1RAB9AALDH1A1 | |
| SCHEMBL20629865 | 0.86 | MAPT (0.38) | ITKSMN1; SMN2BTKNPC1RAB9A | |
| SCHEMBL15710719 | 0.86 | MAPT (0.38) | ITKSMN1; SMN2BTKNPC1RAB9A | |
| SCHEMBL22370699 | 0.82 | USP2 (0.42) | ITKSMN1; SMN2BTKALDH1A1MAPT | |
| SCHEMBL22370702 | 0.82 | USP2 (0.42) | ITKSMN1; SMN2BTKALDH1A1MAPT | |
| SCHEMBL20082945 | 0.82 | NPC1 (0.43) | ITKSMN1; SMN2BTKNPC1RAB9A | |
| SCHEMBL24991319 | 0.80 | BTK (0.41) | BTK | |
| SCHEMBL28976097 | 0.79 | ITK (0.39) | ITKBTKNPC1RAB9AALDH1A1 | |
| SCHEMBL22439617 | 0.77 | ALDH1A1 (0.38) | ITKSMN1; SMN2ALDH1A1KMT2AUSP2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3424928-A1 | NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USE | Shanghai Pharmaceuticals Holding Co., Ltd. (CN) | 2019-01-09 | — | — | EP | disclosed |