Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 3/20 | 0.41 |
| ▸ | IDO1 | P14902 | 3/20 | 0.41 |
| ▸ | NAMPT | P43490 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21187126 | 1.00 | OPRL1 (0.41) | OPRL1IDO1NAMPTCYP2C9CYP2C19 | |
| SCHEMBL21187138 | 0.80 | IDO1 (0.50) | IDO1CYP2C9CYP2C19RAB9ANPC1 | |
| SCHEMBL21187131 | 0.80 | IDO1 (0.50) | IDO1CYP2C9CYP2C19RAB9ANPC1 | |
| SCHEMBL21187116 | 0.75 | SMN1; SMN2 (0.39) | IDO1CYP2C9CYP2C19RAB9ANPC1 | |
| SCHEMBL21187125 | 0.75 | IDO1 (0.50) | IDO1NAMPTCYP2C9CYP2C19RAB9A | |
| SCHEMBL21187113 | 0.73 | IDO1 (0.55) | IDO1CYP2C9CYP2C19RAB9ANPC1 | |
| SCHEMBL21187085 | 0.73 | IDO1 (0.55) | IDO1CYP2C9CYP2C19RAB9ANPC1 | |
| SCHEMBL10079573 | 0.72 | OPRL1 (0.55) | OPRL1IDO1 | |
| SCHEMBL11699099 | 0.72 | EPHX1 (0.67) | CYP2C9CYP2C19RAB9ANPC1ALDH1A1 | |
| SCHEMBL21187199 | 0.71 | FPR1 (0.47) | RAB9ANPC1ALDH1A1EPHX1SMN1; SMN2 |
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 |