Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | GAA | P10253 | 3/20 | 0.55 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | DDO | Q99489 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8230643 | 0.78 | DAO (0.56) | CYP1A2GAARXFP1ALDH1A1CYP2C19 | |
| SCHEMBL29713806 | 0.78 | DAO (0.56) | CYP1A2GAARXFP1ALDH1A1CYP2C19 | |
| Formaldehyde SCHEMBL28245545 | 0.78 | DAO (0.56) | CYP1A2GAARXFP1ALDH1A1CYP2C19 | |
| SCHEMBL18000167 | 0.76 | GAA (0.47) | CYP1A2GAARXFP1ALDH1A1CYP2C19 | |
| SCHEMBL14531557 | 0.76 | DAO (0.60) | CYP1A2GAARXFP1ALDH1A1CYP2C19 | |
| SCHEMBL24804024 | 0.76 | CYP1A2 (0.47) | CYP1A2GAARXFP1ALDH1A1CYP2C19 | |
| SCHEMBL933745 | 0.75 | GAA (0.50) | CYP1A2GAARXFP1ALDH1A1NQO2 | |
| SCHEMBL1353956 | 0.75 | PARP1 (0.59) | CYP1A2GAARXFP1ALDH1A1CYP2C19 | |
| SCHEMBL31098173 | 0.75 | GAA (0.50) | CYP1A2GAARXFP1ALDH1A1CYP2C19 | |
| SCHEMBL20461945 | 0.75 | GAA (0.50) | CYP1A2GAARXFP1ALDH1A1CYP2C19 |
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-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |