Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | SLC7A5 | Q01650 | 3/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | AKT2 | P31751 | 1/20 | 0.36 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3967937 | 1.00 | ALDH1A1 (0.47) | ALDH1A1SLC7A5CYP4F2CYP4A11IDO1 | |
| Hydrochloric Acid SCHEMBL4248195 | 0.98 | ALDH1A1 (0.49) | ALDH1A1SLC7A5CYP4F2CYP4A11IDO1 | |
| Hydrochloric Acid SCHEMBL1202263 | 0.98 | ALDH1A1 (0.49) | ALDH1A1SLC7A5CYP4F2CYP4A11IDO1 | |
| SCHEMBL30765033 | 0.91 | ALDH1A1 (0.43) | ALDH1A1SLC7A5CYP4F2CYP4A11 | |
| SCHEMBL9952219 | 0.91 | ALDH1A1 (0.43) | ALDH1A1SLC7A5CYP4F2CYP4A11 | |
| SCHEMBL12804024 | 0.91 | ALDH1A1 (0.43) | ALDH1A1SLC7A5CYP4F2CYP4A11 | |
| SCHEMBL15933890 | 0.89 | ALDH1A1 (0.42) | ALDH1A1SLC7A5CYP4F2CYP4A11IDO1 | |
| SCHEMBL22944374 | 0.89 | ALDH1A1 (0.42) | ALDH1A1SLC7A5CYP4F2CYP4A11IDO1 | |
| Hydrochloric Acid SCHEMBL15873938 | 0.88 | ALDH1A1 (0.44) | ALDH1A1SLC7A5CYP4F2CYP4A11IDO1 | |
| Hydrochloric Acid SCHEMBL15873940 | 0.88 | ALDH1A1 (0.44) | ALDH1A1SLC7A5CYP4F2CYP4A11IDO1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160289191-A1 | ORGANIC COMPOUNDS | XENON PHARMACEUTICALS INC. (CA) | 2016-10-06 | — | — | US | disclosed |
| US-20160289191-A1 | ORGANIC COMPOUNDS | XENON PHARMACEUTICALS INC. (CA) | 2016-10-06 | — | — | US | disclosed |
| US-9187426-B2 | Organic compounds | NOVARTIS AG (CH) | 2015-11-17 | — | — | US | disclosed |
| US-9187426-B2 | Organic compounds | NOVARTIS AG (CH) | 2015-11-17 | — | — | US | disclosed |
| US-8173645-B2 | Glucokinase activators | TAKEDA SAN DIEGO, INC. (US) | 2012-05-08 | — | — | US | disclosed |
| US-20110105530-A1 | ORGANIC COMPOUNDS | XENON PHARMACEUTICALS INC. (CA) | 2011-05-05 | — | — | US | disclosed |
| US-20110105530-A1 | ORGANIC COMPOUNDS | XENON PHARMACEUTICALS INC. (CA) | 2011-05-05 | — | — | US | disclosed |
| WO-2009156484-A2 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2009-12-30 | — | — | WO | disclosed |
| US-20090099163-A1 | GLUCOKINASE ACTIVATORS | TAKEDA SAN DIEGO, INC. (US) | 2009-04-16 | — | — | US | disclosed |
| WO-2009038412-A2 | BETA-SECRETASE INHIBITING COMPOUNDS | LG LIFE SCIENCES, LTD. (KR) | 2009-03-26 | — | — | WO | disclosed |
| WO-2009038411-A2 | BETA-SECRETASE INHIBITING COMPOUNDS HAVING OXO-DIHYDRO-PYRAZOLE MOIETY | LG LIFE SCIENCES, LTD. (KR) | 2009-03-26 | — | — | WO | disclosed |
| WO-2008116107-A2 | PIPERAZINE DERIVATIVES AS GLUCOKINASE ACTIVATORS | TAKEDA SAN DIEGO, INC. (US) | 2008-09-25 | — | — | WO | 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 (3 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-20110105530-A1 | ORGANIC COMPOUNDS | SCD, SCD5, FADS2 | ALDH1A1 451/4885SLC7A5 1814/4885CYP4F2 376/4885 |
| US-20160289191-A1 | ORGANIC COMPOUNDS | SCD, SCD5, FADS2 | ALDH1A1 451/4885SLC7A5 1814/4885CYP4F2 376/4885 |
| US-20090099163-A1 | GLUCOKINASE ACTIVATORS | GCK, GCKR, GALK1 | ALDH1A1 1149/4885SLC7A5 2466/4885CYP4F2 1676/4885 |
“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.