Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 3/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | PTAFR | P25105 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30503691 | 1.00 | MTOR (0.48) | MTORHPGDNPC1RAB9APOLB | |
| SCHEMBL7880071 | 0.82 | S1PR1 (0.57) | MTORHPGDNPC1RAB9APOLB | |
| SCHEMBL20460410 | 0.79 | ALDH1A1 (0.47) | MTORHPGDNPC1RAB9APOLB | |
| SCHEMBL10453335 | 0.79 | ALDH1A1 (0.56) | HPGDNPC1RAB9APOLBTSHR | |
| SCHEMBL29024939 | 0.74 | KDM4E (0.43) | NPC1RAB9ATSHRALDH1A1 | |
| SCHEMBL30503685 | 0.74 | KDM4E (0.43) | NPC1RAB9ATSHRALDH1A1 | |
| SCHEMBL29024936 | 0.73 | NPC1 (0.49) | HPGDNPC1RAB9APOLBS1PR1 | |
| SCHEMBL9537873 | 0.72 | S1PR1 (0.43) | S1PR1TSHRHSD11B1 | |
| Acetic Acid SCHEMBL29024761 | 0.71 | NPC1 (0.56) | HPGDNPC1RAB9APOLBS1PR1 | |
| SCHEMBL20460437 | 0.70 | HPGD (0.54) | HPGDNPC1RAB9APOLBS1PR1 |
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 |