Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29024959 | 0.85 | NPC1 (0.55) | NPC1RAB9AHPGDTSHRS1PR1 | |
| SCHEMBL29024936 | 0.78 | NPC1 (0.49) | NPC1RAB9AHPGDTSHRMEN1 | |
| SCHEMBL31098635 | 0.78 | MAPT (0.53) | NPC1RAB9AHPGDTSHRMEN1 | |
| SCHEMBL10956888 | 0.78 | MAPT (0.53) | NPC1RAB9AHPGDTSHRMEN1 | |
| Hydrochloric Acid SCHEMBL29289800 | 0.76 | NPC1 (0.47) | NPC1RAB9AHPGDTSHRKMT2A | |
| SCHEMBL69653 | 0.75 | MAPT (0.64) | NPC1RAB9AHPGDTSHRMEN1 | |
| SCHEMBL9812799 | 0.75 | HSD11B1 (0.58) | TSHRMEN1KMT2AS1PR1GAA | |
| Cyclopropane SCHEMBL11664015 | 0.75 | KDM4E (0.61) | NPC1RAB9AHPGDTSHRMEN1 | |
| SCHEMBL3456584 | 0.74 | NPC1 (0.53) | NPC1RAB9AHPGDTSHRMEN1 | |
| SCHEMBL12753574 | 0.74 | CNR1 (0.59) | NPC1RAB9AHPGDTSHRS1PR1 |
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-116354894-A | Substituted piperazine compound and application thereof in medicines | 广东东阳光药业有限公司 | 2023-06-30 | — | — | CN | disclosed |