Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 6/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31188723 | 1.00 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19HTTCA1 | |
| SCHEMBL29496898 | 1.00 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19HTTCA1 | |
| SCHEMBL24962305 | 1.00 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19HTTCA1 | |
| SCHEMBL17275373 | 0.84 | CA1 (0.44) | CA1CA2CA7HCAR2CTSK | |
| SCHEMBL31449996 | 0.84 | CA1 (0.44) | CA1CA2CA7HCAR2CTSK | |
| SCHEMBL384989 | 0.84 | CA1 (0.44) | CA1CA2CA7HCAR2CTSK | |
| SCHEMBL17275374 | 0.84 | CA1 (0.44) | CA1CA2CA7HCAR2CTSK | |
| SCHEMBL17275371 | 0.84 | CA1 (0.44) | CA1CA2CA7HCAR2CTSK | |
| SCHEMBL384007 | 0.84 | CA1 (0.44) | CA1CA2CA7HCAR2CTSK | |
| SCHEMBL30154195 | 0.84 | CTSK (0.44) | CYP1A2CYP2C9CYP2C19HTTCA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3670496-A2 | ACC2 INHIBITORS | Shionogi&Co., Ltd. (JP) | 2020-06-24 | — | — | EP | disclosed |
| US-20190144396-A1 | 9-MEMBERED FUSED RING DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2019-05-16 | — | — | US | disclosed |
| US-10233156-B2 | 9-membered fused ring derivative | SHIONOGI & CO., LTD. (JP) | 2019-03-19 | — | — | US | disclosed |
| US-20180079727-A1 | 9-MEMBERED FUSED RING DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2018-03-22 | — | — | US | disclosed |
| US-20170217897-A1 | QUINOLONE DERIVATIVES AS ANTIBACTERIALS | WUXI APPTEC (CN) | 2017-08-03 | — | — | US | disclosed |
| US-20160257641-A1 | NOVEL ALKYLENE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 2016-09-08 | — | — | US | disclosed |
| EP-3059225-A1 | NOVEL ALKYLENE DERIVATIVE | Shionogi & Co., Ltd. (JP) | 2016-08-24 | — | — | EP | disclosed |
| US-20110263873-A1 | Enantioselective Synthesis of y-amino-alpha beta-unsaturated carboxylic acid derivatives | NOVARTIS AG (CH) | 2011-10-27 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20180079727-A1 | 9-MEMBERED FUSED RING DERIVATIVE | ACSS2, AGTR2, ACSL3 | CYP1A2 124/4885CYP2C9 366/4885CYP2C19 503/4885 |
| US-20170217897-A1 | QUINOLONE DERIVATIVES AS ANTIBACTERIALS | TOP1, NQO2, TOP2A | CYP1A2 139/4885CYP2C9 143/4885CYP2C19 58/4885 |
| US-20110263873-A1 | Enantioselective Synthesis of y-amino-alpha beta-unsaturated carboxylic acid derivatives | BCAT1, BCAT2, AADAT | CYP1A2 471/4885CYP2C9 795/4885CYP2C19 680/4885 |
| US-20190144396-A1 | 9-MEMBERED FUSED RING DERIVATIVE | ACSS2, AGTR2, ACSL3 | CYP1A2 124/4885CYP2C9 366/4885CYP2C19 503/4885 |
| US-10233156-B2 | 9-membered fused ring derivative | AGTR2, ACSS2, ACSL3 | CYP1A2 100/4885CYP2C9 309/4885CYP2C19 434/4885 |
| US-20160257641-A1 | NOVEL ALKYLENE DERIVATIVES | ACSS2, ACACB, ADCY2 | CYP1A2 16/4885CYP2C9 502/4885CYP2C19 500/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.