Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | WDR5 | P61964 | 4/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL24630259 | 0.83 | ALDH1A1 (0.65) | ALDH1A1LMNAKMT2AHTTCYP1A2 | |
| SCHEMBL398803 | 0.80 | ALDH1A1 (0.61) | ALDH1A1LMNAGAASIRT6KMT2A | |
| SCHEMBL30464734 | 0.80 | ALDH1A1 (0.66) | ALDH1A1LMNAGAASIRT6KMT2A | |
| SCHEMBL3313887 | 0.80 | GAA (0.72) | ALDH1A1LMNAGAASIRT6KMT2A | |
| SCHEMBL2461666 | 0.80 | ALDH1A1 (0.66) | ALDH1A1LMNAGAASIRT6KMT2A | |
| SCHEMBL15961236 | 0.80 | SIRT6 (0.59) | ALDH1A1LMNAGAASIRT6KMT2A | |
| SCHEMBL30410222 | 0.80 | ALDH1A1 (0.61) | ALDH1A1LMNAGAASIRT6KMT2A | |
| SCHEMBL1969786 | 0.79 | ALDH1A1 (0.71) | ALDH1A1LMNAGAASIRT6KMT2A | |
| SCHEMBL6830223 | 0.78 | ALDH1A1 (0.62) | ALDH1A1LMNAGAASIRT6KMT2A | |
| SCHEMBL283385 | 0.78 | SIRT6 (0.58) | ALDH1A1LMNAGAASIRT6KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023011610-A1 | BENZODIOXANE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 南京红云生物科技有限公司 | 2023-02-09 | — | — | WO | disclosed |
| 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 |
| WO-2019238067-A1 | PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF | BEIGENE, LTD. (KY) | 2019-12-19 | — | — | WO | disclosed |