Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.45 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.45 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL14419115 | 0.88 | CYP1A2 (0.50) | CYP1A2MAPK8MAPK9MAPK10TSHR | |
| SCHEMBL16328281 | 0.80 | POLB (0.50) | CYP1A2TSHRCYP2C19GAAMAPT | |
| SCHEMBL9396561 | 0.78 | CYP1A2 (0.46) | CYP1A2MAPK8MAPK9MAPK10TSHR | |
| SCHEMBL28859675 | 0.77 | CYP1A2 (0.64) | CYP1A2TSHRIDO1CYP2C19MAPT | |
| SCHEMBL29229610 | 0.77 | POLB (0.47) | CYP1A2MAPK10TSHRIDO1CYP2C19 | |
| SCHEMBL10447563 | 0.77 | ACHE (0.46) | CYP1A2TSHRCYP2C19POLB | |
| SCHEMBL23730549 | 0.75 | POLB (0.42) | CYP1A2TSHRCYP2C19GAAMAPT | |
| SCHEMBL12401091 | 0.75 | ALDH1A1 (0.48) | CYP1A2TSHRCYP2C19MAPTPOLB | |
| SCHEMBL14480554 | 0.74 | CYP1A2 (0.54) | CYP1A2TSHRIDO1CYP2C19PTPN1 | |
| SCHEMBL7439749 | 0.73 | POLB (0.50) | CYP1A2TSHRIDO1CYP2C19GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5332734-A | Antiinflammatory, protease inhibitor | JAPAN TOBACCO, INCORPORATED (JP) | 1994-07-26 | — | — | US | disclosed |
| EP-0533951-A1 | NOVEL OXAZINONE DERIVATIVE | JAPAN TOBACCO INC. (JP) | 1993-03-31 | — | — | EP | disclosed |