Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | POLB | P06746 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 3/20 | 0.39 |
| ▸ | BLM | P54132 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | SCD | O00767 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12693440 | 0.96 | CYP3A4 (0.46) | CYP3A4CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL18386613 | 0.96 | PDPK1 (0.40) | CYP3A4CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL13890377 | 0.94 | CYP3A4 (0.45) | CYP3A4CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL13873244 | 0.92 | CYP3A4 (0.43) | CYP3A4CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL14271001 | 0.89 | PDPK1 (0.41) | CYP3A4CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL14354941 | 0.88 | HDAC6 (0.45) | CYP3A4CYP1A2CYP2C9CYP2C19NPC1 | |
| SCHEMBL10052938 | 0.87 | NPC1 (0.50) | CYP3A4CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL9915005 | 0.83 | HDAC6 (0.49) | CYP3A4CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL20847981 | 0.81 | KCNH2 (0.50) | CYP3A4CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL13536942 | 0.81 | CYP2C9 (0.48) | CYP3A4CYP1A2CYP2C9CYP2C19MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8298450-B2 | Polybenzimidazole-base complex, crosslinked material of polybenzoxazines formed thereof, and fuel cell using the same | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2012-10-30 | — | — | US | disclosed |