Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | OGG1 | O15527 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | CTSG | P08311 | 1/20 | 0.40 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.40 |
| ▸ | CMA1 | P23946 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL28507567 | 0.76 | ALDH1A1 (0.48) | NPC1ALDH1A1HPGDRAB9AOGG1 | |
| SCHEMBL22858693 | 0.76 | ALDH1A1 (0.48) | NPC1ALDH1A1HPGDRAB9AOGG1 | |
| SCHEMBL28507569 | 0.76 | ALDH1A1 (0.48) | NPC1ALDH1A1HPGDRAB9AOGG1 | |
| SCHEMBL20788451 | 0.76 | OGG1 (0.53) | NPC1ALDH1A1HPGDRAB9AOGG1 | |
| SCHEMBL28504577 | 0.74 | POLB (0.38) | ALDH1A1HPGDRAB9AKMT2AHDAC3 | |
| SCHEMBL21198695 | 0.71 | OGG1 (0.55) | NPC1ALDH1A1HPGDRAB9AOGG1 | |
| SCHEMBL2453815 | 0.69 | MAPT (0.58) | NPC1RAB9AKMT2AHDAC3MEN1 | |
| SCHEMBL30572070 | 0.69 | KMT2A (0.56) | NPC1ALDH1A1HPGDRAB9AOGG1 | |
| SCHEMBL19581035 | 0.69 | LMNA (0.48) | NPC1ALDH1A1HPGDRAB9AKMT2A | |
| SCHEMBL1890897 | 0.68 | ALDH1A1 (0.33) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112243439-A | Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof | 百济神州有限公司 | 2021-01-19 | — | — | CN | disclosed |