Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21187140 | 1.00 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2KDM1AMAPT | |
| SCHEMBL21187133 | 1.00 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2KDM1AMAPT | |
| SCHEMBL21176804 | 0.85 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2KDM1AMAPT | |
| SCHEMBL21176802 | 0.85 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2KDM1AMAPT | |
| SCHEMBL21187213 | 0.83 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2MAPTKMT2A | |
| SCHEMBL17730084 | 0.78 | MEN1 (0.62) | RAB9AKDM1AMAPTKMT2AALDH1A1 | |
| SCHEMBL17730086 | 0.78 | MEN1 (0.62) | RAB9AKDM1AMAPTKMT2AALDH1A1 | |
| SCHEMBL21187197 | 0.75 | NPY5R (0.33) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL24011345 | 0.72 | NPC1 (0.60) | NPC1RAB9ASMN1; SMN2MAPTKMT2A | |
| SCHEMBL21187148 | 0.72 | MAOA (0.45) | NPC1RAB9ASMN1; SMN2MAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019141095-A1 | AMIDINE AND GUANIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-07-25 | — | — | WO | disclosed |