Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | 0.83 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2EPHX2EPHX1 | |
| SCHEMBL21187195 | 0.83 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2EPHX2EPHX1 | |
| SCHEMBL21187141 | 0.82 | FPR1 (0.52) | NPC1RAB9ASMN1; SMN2EPHX2KMT2A | |
| SCHEMBL21187132 | 0.81 | MAOA (0.48) | NPC1RAB9ASMN1; SMN2EPHX2EPHX1 | |
| SCHEMBL21187199 | 0.76 | FPR1 (0.47) | NPC1RAB9ASMN1; SMN2EPHX2EPHX1 | |
| SCHEMBL16762664 | 0.72 | RAB9A (0.62) | NPC1RAB9ASMN1; SMN2EPHX2EPHX1 | |
| SCHEMBL21187129 | 0.70 | RAB9A (0.49) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL21187146 | 0.70 | SMN1; SMN2 (0.41) | SMN1; SMN2EPHX2ALDH1A1KMT2AMEN1 | |
| SCHEMBL1171760 | 0.68 | RAB9A (0.67) | NPC1RAB9ASMN1; SMN2EPHX2EPHX1 | |
| SCHEMBL8741847 | 0.68 | NPC1 (0.63) | NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A |
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 |