Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6919183 | 0.80 | NPC1 (0.59) | HTTSMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL17666028 | 0.80 | PSMB5 (0.44) | HTTSMN1; SMN2MEN1KMT2ACYP3A4 | |
| SCHEMBL7791465 | 0.79 | HDAC3 (0.51) | HTTHDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL7816728 | 0.76 | HDAC3 (0.47) | HTTHDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL8128368 | 0.76 | ALDH1A1 (0.44) | HTTSMN1; SMN2MEN1KMT2ACYP3A4 | |
| SCHEMBL6629572 | 0.76 | HDAC3 (0.49) | HTTHDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL1990599 | 0.76 | ADRA2C (0.50) | HTTHDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL7822826 | 0.76 | HDAC3 (0.56) | HTTHDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL6629576 | 0.76 | ALDH1A1 (0.52) | HTTHDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL7751510 | 0.76 | ADRA2C (0.69) | HTTHDAC3HDAC4HDAC1HDAC2 |
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-112679521-A | Method for synthesizing mild azaspiro tricyclic framework molecule | 江西理工大学 | 2021-04-20 | — | — | CN | claimed |