Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | AGXT | P21549 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4968963 | 0.81 | CYP2A6 (0.56) | CYP2A6CYP1A2AGXTTDP1KDM4E | |
| SCHEMBL25462520 | 0.80 | CYP1A2 (0.56) | CYP2A6CYP1A2TDP1KDM4ECA9 | |
| SCHEMBL25462532 | 0.79 | CYP2A6 (0.48) | CYP2A6CYP1A2RAB9AMAPTHTT | |
| SCHEMBL25462508 | 0.78 | CYP2A6 (0.46) | CYP2A6CYP1A2RAB9AMAPTHTT | |
| SCHEMBL9525075 | 0.77 | CYP2A6 (0.52) | CYP2A6CYP1A2AGXTTDP1KDM4E | |
| SCHEMBL5553606 | 0.75 | ALDH1A1 (0.61) | KDM4ERAB9AMEN1KMT2AMAPT | |
| SCHEMBL3500443 | 0.75 | CYP2A6 (0.67) | CYP2A6CYP1A2AGXTTDP1KDM4E | |
| SCHEMBL22299079 | 0.74 | CYP2A6 (0.67) | CYP2A6CYP1A2AGXTTDP1KDM4E | |
| SCHEMBL11512456 | 0.74 | CA1 (0.39) | TDP1KDM4EMAPK1CA1CA2 | |
| SCHEMBL6650090 | 0.74 | ALDH1A1 (0.50) | CYP2A6CYP1A2AGXTTDP1KDM4E |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100460415-C | Ketolactones, their use and process for their preparation and pharmaceutical compositions containing them | ABBOTT LAB (US) | 2009-02-11 | — | — | CN | disclosed |
| CN-100441591-C | Ketolactones, their use and process for their preparation and pharmaceutical compositions containing them | ABBOTT LAB (US) | 2008-12-10 | — | — | CN | disclosed |
| US-RE39591-E1 | 6-O-substituted ketolides having antibacterial activity | ABBOTT LABORATORIES (US) | 2007-04-24 | — | — | US | disclosed |
| CN-1273475-C | 6-0-substituted ketolides with antibacterial activity | ABBOTT CO (US) | 2006-09-06 | — | — | CN | disclosed |
| CN-1680419-A | Ketolactones, their use and process for their preparation and pharmaceutical compositions containing them | ABBOTT LAB (US) | 2005-10-12 | — | — | CN | disclosed |
| CN-1680418-A | Ketolactones, their use and process for their preparation and pharmaceutical compositions containing them | ABBOTT LAB (US) | 2005-10-12 | — | — | CN | disclosed |
| CN-1680420-A | Ketolactones, their use and process for their preparation and pharmaceutical compositions containing them | ABBOTT LAB (US) | 2005-10-12 | — | — | CN | disclosed |
| CN-1237183-A | 6-0-substituted ketolides with antibacterial activity | ABBOTT CO (US) | 1999-12-01 | — | — | CN | disclosed |