Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 7/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.33 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21187097 | 0.92 | IDO1 (0.40) | NPC1RAB9AEPHX1IDO1CYP2C9 | |
| SCHEMBL21187159 | 0.91 | IDO1 (0.37) | NPC1RAB9AEPHX1IDO1CYP2C9 | |
| SCHEMBL21187092 | 0.90 | EPHX2 (0.38) | NPC1RAB9AEPHX1IDO1CYP3A4 | |
| SCHEMBL21187221 | 0.84 | IDO1 (0.39) | NPC1RAB9AEPHX1IDO1CYP2C9 | |
| SCHEMBL21187158 | 0.84 | PDE4B (0.37) | KDRMET | |
| SCHEMBL21187096 | 0.84 | MEN1 (0.39) | NPC1RAB9AEPHX1IDO1CYP3A4 | |
| SCHEMBL21187173 | 0.77 | IDO1 (0.63) | IDO1CYP2C9CYP3A4CYP2C8TDO2 | |
| SCHEMBL16877207 | 0.74 | TLR8 (0.39) | IDO1CYP3A4KCNH2 | |
| SCHEMBL21187168 | 0.69 | GRM4 (0.41) | RAB9AIDO1CYP2C9CYP3A4CYP2C8 | |
| SCHEMBL21187156 | 0.69 | NPC1 (0.43) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 |
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 |