Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.82 |
| ▸ | RAB9A | P51151 | 5/20 | 0.82 |
| ▸ | POLB | P06746 | 1/20 | 0.82 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.70 |
| ▸ | MEN1 | O00255 | 3/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.70 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.70 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.65 |
| ▸ | CDK4 | P11802 | 3/20 | 0.60 |
| ▸ | CCND1 | P24385 | 3/20 | 0.60 |
| ▸ | ATM | Q13315 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL28663013 | 0.87 | MEN1 (0.79) | NPC1RAB9APOLBPTGS1MEN1 | |
| SCHEMBL28647715 | 0.86 | MEN1 (0.70) | NPC1RAB9APOLBPTGS1MEN1 | |
| SCHEMBL28666623 | 0.85 | PTGS1 (0.82) | NPC1RAB9APOLBPTGS1MEN1 | |
| SCHEMBL1514569 | 0.84 | NPC1 (0.87) | NPC1RAB9APOLBPTGS1MEN1 | |
| SCHEMBL28645301 | 0.83 | CDK4 (0.77) | NPC1RAB9APOLBPTGS1MEN1 | |
| SCHEMBL28292525 | 0.83 | PTGS1 (1.00) | NPC1RAB9APOLBPTGS1MEN1 | |
| SCHEMBL28653374 | 0.83 | PTGS1 (0.81) | NPC1RAB9APOLBPTGS1MEN1 | |
| SCHEMBL9276493 | 0.83 | MEN1 (1.00) | NPC1RAB9APOLBPTGS1MEN1 | |
| SCHEMBL28647718 | 0.82 | PTGS1 (0.76) | NPC1RAB9APOLBPTGS1MEN1 | |
| SCHEMBL13943094 | 0.81 | MEN1 (0.77) | NPC1RAB9APOLBPTGS1MEN1 |
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-113563250-A | Benzoic acid tryptamine derivative and preparation and application thereof | 南华大学 | 2021-10-29 | — | — | CN | disclosed |