Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7366422 | 0.82 | NPC1 (0.46) | NPC1JAK2RAB9APAX8CHRM2 | |
| SCHEMBL29039670 | 0.82 | NPC1 (0.49) | NPC1JAK2RAB9APAX8CHRM2 | |
| SCHEMBL6002892 | 0.82 | NPC1 (0.64) | NPC1JAK2RAB9APAX8CHRM2 | |
| SCHEMBL6003596 | 0.82 | NPC1 (0.64) | NPC1JAK2RAB9APAX8CHRM2 | |
| SCHEMBL6002677 | 0.82 | NPC1 (0.64) | NPC1JAK2RAB9APAX8CHRM2 | |
| SCHEMBL6003175 | 0.82 | NPC1 (0.64) | NPC1JAK2RAB9APAX8CHRM2 | |
| SCHEMBL6001688 | 0.81 | NPC1 (0.55) | NPC1JAK2RAB9APAX8CHRM2 | |
| SCHEMBL28563358 | 0.80 | TP53 (0.46) | NPC1JAK2RAB9APAX8CHRM2 | |
| SCHEMBL4039977 | 0.80 | ALDH1A1 (0.46) | CHRM3KMT2AMEN1SMN1; SMN2CYP3A4 | |
| SCHEMBL4046453 | 0.78 | HDAC3 (0.49) | KMT2AMEN1SMN1; SMN2CYP3A4CYP2C9 |
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-86101066-A | Process for producing novel trifluoromethyl ketone substituted peptide derivatives | — | 1986-11-05 | — | — | CN | disclosed |