Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CTSD | P07339 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16571307 | 0.85 | TNF (0.46) | CYP3A4CYP2C19CYP1A2RAB9ASMN1; SMN2 | |
| SCHEMBL16571306 | 0.85 | TNF (0.46) | CYP3A4CYP2C19CYP1A2RAB9ASMN1; SMN2 | |
| SCHEMBL6574255 | 0.81 | CYP3A4 (0.52) | CYP3A4CYP2C19CYP1A2RAB9ASMN1; SMN2 | |
| SCHEMBL9250162 | 0.80 | RAB9A (0.54) | CYP3A4CYP2C19CYP1A2RAB9ASMN1; SMN2 | |
| SCHEMBL28782183 | 0.80 | ALDH1A1 (0.52) | CYP3A4CYP2C19CYP1A2RAB9ASMN1; SMN2 | |
| SCHEMBL1694594 | 0.79 | CYP3A4 (0.56) | CYP3A4CYP2C19CYP1A2RAB9ASMN1; SMN2 | |
| SCHEMBL1694596 | 0.79 | CYP3A4 (0.56) | CYP3A4CYP2C19CYP1A2RAB9ASMN1; SMN2 | |
| SCHEMBL16428848 | 0.78 | MTNR1A (0.55) | CYP3A4CYP2C19CYP1A2RAB9ASMN1; SMN2 | |
| SCHEMBL16571077 | 0.78 | ALDH1A1 (0.42) | CYP3A4CYP2C19CYP1A2RAB9ASMN1; SMN2 | |
| SCHEMBL6573968 | 0.78 | RAB9A (0.55) | CYP3A4CYP2C19CYP1A2RAB9ASMN1; SMN2 |
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-112384517-A | Heteroaryl compounds and uses thereof | 新旭生技股份有限公司 | 2021-02-19 | — | — | CN | disclosed |