Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.37 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SUV39H2 | Q9H5I1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23099566 | 0.91 | CYP1A2 (0.42) | CYP1A2CYP2C9CYP2C19POLBNPC1 | |
| SCHEMBL23099405 | 0.86 | EGLN1 (0.38) | CYP2C9CYP2C19NPC1RAB9AMAPK1 | |
| SCHEMBL23099523 | 0.84 | CYP1A2 (0.45) | CYP1A2CYP2C9CYP2C19POLBNPC1 | |
| SCHEMBL23099567 | 0.82 | CYP2C9 (0.43) | CYP1A2CYP2C9CYP2C19POLBNPC1 | |
| SCHEMBL24689687 | 0.82 | CYP1A2 (0.43) | CYP1A2CYP2C9CYP2C19POLBNPC1 | |
| SCHEMBL12295206 | 0.78 | CYP2C9 (0.67) | CYP1A2CYP2C9CYP2C19POLBNPC1 | |
| SCHEMBL26626578 | 0.77 | RAB9A (0.51) | CYP1A2CYP2C9CYP2C19NPC1RAB9A | |
| SCHEMBL26527689 | 0.77 | ALDH1A1 (0.45) | POLBNPC1RAB9AHSD17B2MAPK1 | |
| SCHEMBL23099562 | 0.77 | EGLN1 (0.35) | SUV39H2 | |
| SCHEMBL23099502 | 0.77 | KDM4E (0.49) | CYP1A2CYP2C9CYP2C19POLBNPC1 |
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-2021048342-A1 | ANTIBACTERIAL COMPOUNDS | Janssen Sciences Ireland Unlimited Company (IE) | 2021-03-18 | — | — | WO | disclosed |