Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 12/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | TDO2 | P48775 | 4/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21187131 | 1.00 | IDO1 (0.50) | IDO1CYP2C9TDO2CYP2C8CYP3A4 | |
| SCHEMBL21187157 | 0.81 | NPC1 (0.41) | IDO1HTR6NPC1ALDH1A1RAB9A | |
| SCHEMBL21187221 | 0.80 | IDO1 (0.39) | IDO1CYP2C9TDO2CYP2C8CYP3A4 | |
| SCHEMBL21187120 | 0.80 | OPRL1 (0.41) | IDO1CYP2C9TDO2CYP2C8CYP3A4 | |
| SCHEMBL21187126 | 0.80 | OPRL1 (0.41) | IDO1CYP2C9TDO2CYP2C8CYP3A4 | |
| SCHEMBL21187125 | 0.80 | IDO1 (0.50) | IDO1CYP2C9TDO2CYP2C8CYP3A4 | |
| SCHEMBL21187166 | 0.79 | MET (0.37) | IDO1PDGFRAKDR | |
| SCHEMBL21187153 | 0.79 | NPC1 (0.45) | NPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL20838751 | 0.78 | IDO1 (0.65) | IDO1CYP2C9TDO2CYP2C8CYP3A4 | |
| SCHEMBL21187116 | 0.75 | SMN1; SMN2 (0.39) | IDO1CYP2C9CYP3A4NPC1ALDH1A1 |
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 |