Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | CNR1 | P21554 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | FPR1 | P21462 | 2/20 | 0.42 |
| ▸ | FPR2 | P25090 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL21187085 | 1.00 | IDO1 (0.55) | IDO1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL21187086 | 0.85 | MEN1 (0.49) | IDO1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL21187084 | 0.85 | MEN1 (0.49) | IDO1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL17730031 | 0.83 | RAB9A (0.65) | IDO1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL17730019 | 0.83 | RAB9A (0.65) | IDO1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL17730017 | 0.83 | RAB9A (0.65) | IDO1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL21187199 | 0.83 | FPR1 (0.47) | MAPTNPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL21187195 | 0.83 | NPC1 (0.51) | MAPTNPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL21187119 | 0.83 | NPC1 (0.51) | MAPTNPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL21187116 | 0.81 | SMN1; SMN2 (0.39) | IDO1NPC1RAB9ASMN1; SMN2ALDH1A1 |
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 |