Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | ALPI | P09923 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | XIAP | P98170 | 1/20 | 0.50 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.50 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.48 |
| ▸ | CPA1 | P15085 | 2/20 | 0.47 |
| ▸ | CPA3 | P15088 | 2/20 | 0.47 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.47 |
| ▸ | CPB1 | P15086 | 1/20 | 0.47 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.46 |
| ▸ | ACP3 | P15309 | 1/20 | 0.46 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.46 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.46 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2835490 | 1.00 | CYP1A2 (0.53) | CYP1A2EPHX1ALPIPKMPTGS1 | |
| SCHEMBL27803438 | 0.82 | CYP1A2 (0.55) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL8953314 | 0.81 | MTNR1A (0.57) | — | |
| SCHEMBL5292778 | 0.79 | SLC1A3 (0.62) | CYP1A2EPHX1ALPIPKMPTGS1 | |
| SCHEMBL8761504 | 0.79 | EPHX1 (0.52) | CYP1A2EPHX1MDM2ACP3CYP2D6 | |
| SCHEMBL1923823 | 0.78 | LMNA (0.52) | CYP1A2PTGS1LMNAMAPK1CYP2D6 | |
| SCHEMBL11212129 | 0.78 | SLC6A2 (0.59) | EPHX1PKMMDM2LMNAACP3 | |
| SCHEMBL3730338 | 0.78 | CYP1A2 (0.59) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL7434255 | 0.77 | ALPI (0.50) | CYP1A2EPHX1ALPIPKMPTGS1 | |
| SCHEMBL3866544 | 0.76 | SLC1A3 (0.63) | CYP1A2ALPIPKMPTGS1XIAP |
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-8133882-B2 | Quinolone derivative or pharmaceutically acceptable salt thereof | ASTELLAS PHARMA INC (JP) | 2012-03-13 | — | — | US | disclosed |
| EP-1995240-B1 | QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | ASTELLAS PHARMA INC (JP) | 2012-02-22 | — | — | EP | disclosed |