Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 3/20 | 0.36 |
| ▸ | BCHE | P06276 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.31 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.31 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.30 |
| ▸ | ABCC1 | P33527 | 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 | |
|---|---|---|---|---|
| SCHEMBL9915473 | 0.79 | GAA (0.42) | ABCB1ABCC1 | |
| SCHEMBL9915426 | 0.78 | MAPT (0.50) | CYP2C9CYP2C19CYP1A2CYP19A1CA12 | |
| SCHEMBL9915470 | 0.77 | SMPD1 (0.37) | — | |
| SCHEMBL9915308 | 0.72 | CYP1A2 (0.38) | CYP2C9CYP2C19CYP1A2CA12CA1 | |
| SCHEMBL9915495 | 0.71 | SMPD1 (0.41) | — | |
| SCHEMBL6128431 | 0.69 | SMPD1 (0.44) | NOTUMBCHEACHECYP2C9CYP2C19 | |
| SCHEMBL9915490 | 0.68 | MAPT (0.40) | — | |
| SCHEMBL14124959 | 0.68 | NOTUM (0.46) | NOTUM | |
| SCHEMBL10976072 | 0.66 | CYP1A2 (0.36) | CYP2C9CYP2C19CYP1A2CA12CA1 | |
| SCHEMBL16748641 | 0.66 | GAA (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012073138-A1 | MONOBACTAMS | PFIZER INC. (US) | 2012-06-07 | — | — | WO | disclosed |