Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.33 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7501377 | 1.00 | CYP1A2 (0.37) | CYP1A2CYP2C9CYP2C19HTTTP53 | |
| SCHEMBL7501369 | 1.00 | CYP1A2 (0.37) | CYP1A2CYP2C9CYP2C19HTTTP53 | |
| SCHEMBL7505047 | 0.85 | CYP1A2 (0.40) | CYP1A2CYP2C9CYP2C19HTTTP53 | |
| SCHEMBL7505039 | 0.85 | CYP1A2 (0.40) | CYP1A2CYP2C9CYP2C19HTTTP53 | |
| SCHEMBL7505042 | 0.85 | CYP1A2 (0.40) | CYP1A2CYP2C9CYP2C19HTTTP53 | |
| SCHEMBL7500394 | 0.83 | CYP1A2 (0.38) | CYP1A2CYP2C9CYP2C19HTTTP53 | |
| SCHEMBL7501049 | 0.83 | CYP1A2 (0.41) | CYP1A2CYP2C9CYP2C19HTTTP53 | |
| SCHEMBL19200954 | 0.79 | CYP1A2 (0.43) | CYP1A2CYP2C9CYP2C19HTTTP53 | |
| SCHEMBL16317020 | 0.72 | CA1 (0.58) | CA1CA2CA7TSHRCTSK | |
| SCHEMBL16690443 | 0.72 | CYP2D6 (0.47) | HTTCA1CA2CA7TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0723545-B1 | QUINOLIZINONE TYPE COMPOUNDS | ABBOTT LAB (US) | 2002-05-08 | — | — | EP | disclosed |
| US-5726182-A | TREATMENT OF BACTERIAL INFECTIONS | ABBOTT LABORATORIES (US) | 1998-03-10 | — | — | US | disclosed |
| US-5599816-A | BACTERICIDE | ABBOTT LABORATORIES (US) | 1997-02-04 | — | — | US | disclosed |
| US-5580872-A | ADMINISTERING IN THE TREATMENT OF BACTERIAL INFECTIONS | ABBOTT LABORATORIES (US) | 1996-12-03 | — | — | US | disclosed |
| WO-1995010519-A1 | QUINOLIZINONE TYPE COMPOUNDS | ABBOTT LABORATORIES (US) | 1995-04-20 | — | — | WO | disclosed |