Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 12/20 | 0.55 |
| ▸ | CXCR1 | P25024 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | PDE6D | O43924 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29143010 | 0.74 | KLK1 (0.49) | NPC1RAB9AMAPTSMN1; SMN2KDM4E | |
| SCHEMBL5654702 | 0.71 | MAPT (0.56) | RAB9AALDH1A1MAPTKDM4EPTGS1 | |
| Trifluoroacetic Acid SCHEMBL29143022 | 0.70 | KLK1 (0.42) | MAPTMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL29803776 | 0.70 | MLYCD (0.49) | NPC1RAB9AMAPTSMN1; SMN2KDM4E | |
| Trifluoroacetic Acid SCHEMBL7417053 | 0.69 | ITGB3 (0.53) | — | |
| Trifluoroacetic Acid SCHEMBL30725604 | 0.69 | KLK1 (0.51) | NPC1RAB9AALDH1A1MAPTSMN1; SMN2 | |
| Bicarbonate SCHEMBL2945476 | 0.69 | KIF11 (0.62) | NPC1RAB9AMAPTPTGS1 | |
| Trifluoroacetic Acid SCHEMBL17894404 | 0.69 | EPHX2 (0.53) | RAB9AMAPT | |
| Trifluoroacetic Acid SCHEMBL17894363 | 0.69 | NPC1 (0.52) | NPC1RAB9AKDM4EMEN1KMT2A | |
| SCHEMBL24891830 | 0.69 | KMT2A (0.64) | NPC1RAB9AMAPTSMN1; SMN2KDM4E |
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-117447375-A | Guanidine compound, preparation method and application thereof | 中国医学科学院药物研究所 | 2024-01-26 | — | — | CN | disclosed |