Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28527648 | 1.00 | CYP3A4 (0.32) | CYP3A4NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL79594 | 0.95 | CYP3A4 (0.33) | CYP3A4 | |
| SCHEMBL16538439 | 0.85 | SMN1; SMN2 (0.34) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL337263 | 0.82 | CYP3A4 (0.32) | CYP3A4RAB9ASMN1; SMN2 | |
| SCHEMBL80872 | 0.81 | — | — | |
| SCHEMBL22440480 | 0.79 | NPC1 (0.32) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14157095 | 0.79 | CYP3A4 (0.33) | CYP3A4NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL702496 | 0.79 | TSHR (0.37) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2452337 | 0.78 | ALDH1A1 (0.34) | CYP3A4RAB9ASMN1; SMN2 | |
| SCHEMBL2452335 | 0.78 | ALDH1A1 (0.34) | CYP3A4RAB9ASMN1; 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-112442029-A | Tetrahydropyrido [3,4-d ] pyrimidine derivative and application thereof in medicine | 四川海思科制药有限公司 | 2021-03-05 | — | — | CN | disclosed |