Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.58 |
| ▸ | HPGD | P15428 | 9/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.58 |
| ▸ | CNR2 | P34972 | 2/20 | 0.57 |
| ▸ | CASP1 | P29466 | 1/20 | 0.57 |
| ▸ | CASP7 | P55210 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL3494989 | 0.90 | NPC1 (0.70) | ALDH1A1HPGDKDM4EMAPTNPSR1 | |
| SCHEMBL14875905 | 0.88 | ALDH1A1 (0.76) | ALDH1A1HPGDKDM4ECNR2HSD17B10 | |
| SCHEMBL3498965 | 0.88 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4ECNR2CASP1 | |
| SCHEMBL5430509 | 0.88 | IKBKB (0.52) | ALDH1A1HPGDKDM4ECNR2CASP1 | |
| SCHEMBL3498603 | 0.87 | KDM4E (0.54) | ALDH1A1HPGDKDM4ECNR2CASP1 | |
| SCHEMBL5435729 | 0.84 | ALDH1A1 (0.42) | ALDH1A1HPGDKDM4ECNR2CASP1 | |
| SCHEMBL3497369 | 0.82 | ATR (0.46) | ALDH1A1HPGDKDM4ECNR2CASP1 | |
| SCHEMBL1563696 | 0.82 | IKBKB (0.74) | ALDH1A1HPGDCNR2CASP1CASP7 | |
| SCHEMBL10051825 | 0.80 | JAK2 (0.57) | KDM4EMAPTNPSR1NPC1RAB9A | |
| SCHEMBL25782243 | 0.80 | ALOX15 (0.56) | ALDH1A1HPGDKDM4EMAPTNPSR1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023101556-A1 | NOVEL INHIBITORS OF ASPARTATE TRANSCARBAMOYLASE (ATCASE) AND COMPOSITIONS, METHODS AND USES RELATED THERETO. | RIJKSUNIVERSITEIT GRONINGEN (NL) | 2023-06-08 | — | — | WO | disclosed |
| US-20100160255-A1 | SPIRO-CYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-06-24 | — | — | US | disclosed |
| US-20100160255-A1 | SPIRO-CYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-06-24 | — | — | US | disclosed |
| US-20100160255-A1 | SPIRO-CYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-06-24 | — | — | US | disclosed |
| US-20090281097-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-12 | — | — | US | disclosed |
| US-20090281097-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-12 | — | — | US | disclosed |
| US-20090281097-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-12 | — | — | US | disclosed |
| EP-2009011-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2008-12-31 | — | — | EP | disclosed |
| EP-1911753-A1 | SPIRO-CYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2008-04-16 | — | — | EP | 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 (2 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-20090281097-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | TNNC1, CPT1B, TNNI3 | ALDH1A1 1550/4885HPGD 595/4885KDM4E 1496/4885 |
| US-20100160255-A1 | SPIRO-CYCLIC COMPOUND | ACACA, CPT1B, PC | ALDH1A1 772/4885HPGD 1821/4885KDM4E 1730/4885 |
“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.