Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | OTUD7B | Q6GQQ9 | 2/20 | 0.34 |
| ▸ | CALCA | P06881 | 2/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2268820 | 0.77 | PDK2 (0.50) | NPC1CYP1A2SMN1; SMN2GSK3BTNKS2 | |
| SCHEMBL31404120 | 0.77 | PDK2 (0.50) | NPC1CYP1A2SMN1; SMN2GSK3BTNKS2 | |
| SCHEMBL2267714 | 0.77 | NPC1 (0.41) | NPC1CYP1A2SMN1; SMN2GSK3BOTUD7B | |
| SCHEMBL13004676 | 0.76 | NPC1 (0.46) | NPC1CYP1A2SMN1; SMN2GSK3BOTUD7B | |
| Hydrochloric Acid SCHEMBL30775696 | 0.76 | PDK2 (0.48) | NPC1CYP1A2SMN1; SMN2GSK3BTNKS2 | |
| SCHEMBL16235885 | 0.76 | CALCA (0.46) | NPC1CYP1A2SMN1; SMN2OTUD7BCALCA | |
| SCHEMBL24390000 | 0.74 | NPC1 (0.45) | NPC1CYP1A2SMN1; SMN2GSK3BOTUD7B | |
| SCHEMBL13478639 | 0.74 | NPC1 (0.39) | NPC1CYP1A2SMN1; SMN2GSK3BOTUD7B | |
| SCHEMBL1435883 | 0.73 | CALCA (0.41) | NPC1CYP1A2SMN1; SMN2CALCAGAA | |
| SCHEMBL15999443 | 0.73 | ALDH1A1 (0.43) | NPC1CYP1A2SMN1; SMN2GSK3BCALCA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3867238-B1 | PROTEIN TYROSINE PHOSPHATASE INHIBITORS | ARRAY BIOPHARMA INC (US) | 2023-06-07 | — | — | EP | claimed |
| CN-114539273-A | Novel heterocyclic derivatives useful as SHP2 inhibitors | 北京加科思新药研发有限公司 | 2022-05-27 | — | — | CN | disclosed |
| CN-114341124-A | Protein tyrosine phosphatase inhibitors | ARRAY生物制药公司 | 2022-04-12 | — | — | CN | disclosed |