Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | PPIA | P62937 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6952633 | 0.81 | PTGS1 (0.37) | SMN1; SMN2MAPK1RAB9ANPC1HTT | |
| SCHEMBL5629538 | 0.76 | RAB9A (0.65) | SMN1; SMN2MAPK1RAB9ANPC1HTT | |
| SCHEMBL30421156 | 0.76 | RAB9A (0.65) | SMN1; SMN2MAPK1RAB9ANPC1HTT | |
| SCHEMBL25512311 | 0.75 | MMP2 (0.43) | POLBCXCL8 | |
| SCHEMBL187738 | 0.73 | CXCL8 (0.56) | SMN1; SMN2MAPK1RAB9ANPC1HTT | |
| SCHEMBL288085 | 0.73 | DHODH (0.60) | SMN1; SMN2MAPK1RAB9ANPC1HTT | |
| SCHEMBL2561237 | 0.73 | SMN1; SMN2 (0.50) | SMN1; SMN2RAB9ANPC1HTTPOLB | |
| SCHEMBL31076256 | 0.73 | MEN1 (0.60) | MAPK1RAB9ANPC1HTTATM | |
| SCHEMBL4449131 | 0.73 | NPC1 (0.56) | RAB9ANPC1ATMKMT2AMEN1 | |
| SCHEMBL4272878 | 0.73 | MEN1 (0.60) | MAPK1RAB9ANPC1HTTATM |
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-118359535-A | Synthesis method of N-tert-butoxycarbonyl-3-pyridyl-D/L-alanine | 武汉理工大学 | 2024-07-19 | — | — | CN | disclosed |