Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAT2A | P31153 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.32 |
| ▸ | NR1I3 | Q14994 | 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 | |
|---|---|---|---|---|
| SCHEMBL14685289 | 0.78 | CYP2C9 (0.39) | CYP2C9CYP2C19CYP3A4PARP1ALDH1A1 | |
| SCHEMBL12294859 | 0.78 | ALDH1A1 (0.42) | CYP2C9CYP2C19CYP3A4PARP1ALDH1A1 | |
| SCHEMBL20377218 | 0.77 | ALDH1A1 (0.55) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL15767382 | 0.77 | CYP2C9 (0.38) | CYP2C9CYP2C19CYP3A4PARP1FGFR3 | |
| SCHEMBL15330883 | 0.73 | ALDH1A1 (0.52) | PARP1ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL13838190 | 0.73 | GAA (0.34) | PARP1ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL17590056 | 0.72 | CYP2C9 (0.46) | CYP2C9CYP2C19CYP3A4PARP1FGFR3 | |
| SCHEMBL15333053 | 0.70 | ALDH1A1 (0.48) | PARP1ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL16447538 | 0.70 | CYP2C9 (0.53) | CYP2C9CYP2C19CYP3A4ALDH1A1KDM4E | |
| SCHEMBL7081174 | 0.69 | DPP4 (0.43) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2547678-B1 | ANTI-INFECTIVE COMPOUNDS | PASTEUR INSTITUT KOREA (KR) | 2016-03-16 | — | — | EP | disclosed |
| WO-2011113606-A1 | ANTI-INFECTIVE COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2011-09-22 | — | — | WO | disclosed |