Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.42 |
| ▸ | STAT1 | P42224 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CCNC | P24863 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21187156 | 0.90 | NPC1 (0.43) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL21187157 | 0.86 | NPC1 (0.41) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL21187166 | 0.82 | MET (0.37) | CASP3 | |
| SCHEMBL21187138 | 0.79 | IDO1 (0.50) | NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL21187131 | 0.79 | IDO1 (0.50) | NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL21187168 | 0.74 | GRM4 (0.41) | RAB9ACASP3GRM4 | |
| SCHEMBL21187221 | 0.72 | IDO1 (0.39) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL6720800 | 0.69 | TP53 (0.60) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL21187141 | 0.68 | FPR1 (0.52) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL23061556 | 0.68 | IDO1 (0.50) | KDM4E |
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 |