Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.51 |
| ▸ | RAB9A | P51151 | 7/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL21187119 | 1.00 | NPC1 (0.51) | NPC1RAB9AGRIN2BEPHX1EPHX2 | |
| SCHEMBL21187132 | 0.88 | MAOA (0.48) | NPC1RAB9AEPHX1EPHX2KMT2A | |
| SCHEMBL21187199 | 0.88 | FPR1 (0.47) | NPC1RAB9AEPHX1EPHX2MEN1 | |
| SCHEMBL1171760 | 0.85 | RAB9A (0.67) | NPC1RAB9AGRIN2BEPHX1EPHX2 | |
| SCHEMBL21187149 | 0.83 | NPC1 (0.46) | NPC1RAB9AEPHX1EPHX2MEN1 | |
| SCHEMBL21187113 | 0.83 | IDO1 (0.55) | NPC1RAB9AGRIN2BEPHX1MEN1 | |
| SCHEMBL21187085 | 0.83 | IDO1 (0.55) | NPC1RAB9AGRIN2BEPHX1MEN1 | |
| SCHEMBL21187213 | 0.81 | NPC1 (0.48) | NPC1RAB9AGRIN2BEPHX1EPHX2 | |
| SCHEMBL17318351 | 0.79 | IDO1 (0.51) | NPC1RAB9AGRIN2BEPHX2MEN1 | |
| SCHEMBL21177092 | 0.78 | NPC1 (0.45) | NPC1RAB9AGRIN2BEPHX1EPHX2 |
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 |