Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.60 |
| ▸ | RAB9A | P51151 | 5/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.51 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.51 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.50 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.50 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.50 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28530013 | 0.85 | KMT2A (0.50) | NPC1RAB9AHTTNTRK1KMT2A | |
| SCHEMBL27617775 | 0.82 | IKBKB (0.49) | NPC1RAB9AHTTNTRK1KMT2A | |
| SCHEMBL30648563 | 0.80 | RAB9A (0.88) | NPC1RAB9AHTTKMT2AMEN1 | |
| SCHEMBL3820618 | 0.79 | HTT (0.66) | NPC1RAB9AHTTKMT2AMEN1 | |
| SCHEMBL7532358 | 0.79 | KMT2A (0.68) | NPC1RAB9AHTTKMT2AMEN1 | |
| SCHEMBL23566394 | 0.79 | USP2 (0.68) | NPC1RAB9AHTTKMT2AMEN1 | |
| SCHEMBL6174576 | 0.79 | RAB9A (0.61) | NPC1RAB9AHTTKMT2AMEN1 | |
| SCHEMBL14439750 | 0.79 | NPC1 (0.61) | NPC1RAB9AHTTKMT2AMEN1 | |
| SCHEMBL9842635 | 0.77 | RAB9A (0.68) | NPC1RAB9AHTTKMT2AMEN1 | |
| SCHEMBL18640735 | 0.76 | HTT (0.63) | NPC1RAB9AHTTKMT2AMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116375549-A | Method and system for synthesizing amide compound from nitrile compound | 深圳湾实验室 | 2023-07-04 | — | — | CN | claimed |
| CN-116375549-A | Method and system for synthesizing amide compound from nitrile compound | 深圳湾实验室 | 2023-07-04 | — | — | CN | disclosed |