Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21187153 | 0.86 | NPC1 (0.45) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL21187166 | 0.82 | MET (0.37) | IDO1 | |
| SCHEMBL21187138 | 0.81 | IDO1 (0.50) | NPC1RAB9ASMN1; SMN2IDO1HTR6 | |
| SCHEMBL21187131 | 0.81 | IDO1 (0.50) | NPC1RAB9ASMN1; SMN2IDO1HTR6 | |
| SCHEMBL21187156 | 0.80 | NPC1 (0.43) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL21187221 | 0.78 | IDO1 (0.39) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL21187087 | 0.75 | IDO1 (0.54) | IDO1 | |
| SCHEMBL21187168 | 0.74 | GRM4 (0.41) | RAB9AIDO1 | |
| SCHEMBL21187159 | 0.72 | IDO1 (0.37) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL23061556 | 0.69 | IDO1 (0.50) | IDO1HTR6 |
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 |