Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 3/20 | 0.47 |
| ▸ | MMP3 | P08254 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.42 |
| ▸ | CCNC | P24863 | 1/20 | 0.42 |
| ▸ | CDK8 | P49336 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | KIT | P10721 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL28249917 | 0.78 | MMP3 (0.45) | KIF11MMP3ALDH1A1CYP2A6RIPK1 | |
| SCHEMBL28280408 | 0.76 | HMBS (0.48) | ALDH1A1MCL1GAA | |
| SCHEMBL27450425 | 0.75 | NOTUM (0.45) | KIF11MMP3ALDH1A1RIPK1MCL1 | |
| Water SCHEMBL11055485 | 0.75 | MMP3 (0.74) | KIF11MMP3ALDH1A1CYP2A6CA12 | |
| SCHEMBL396846 | 0.75 | MMP3 (0.74) | KIF11MMP3ALDH1A1CYP2A6CA12 | |
| SCHEMBL13063633 | 0.75 | MMP3 (0.74) | KIF11MMP3ALDH1A1CYP2A6CA12 | |
| SCHEMBL26246 | 0.75 | MMP3 (0.74) | KIF11MMP3ALDH1A1CYP2A6CA12 | |
| SCHEMBL27643249 | 0.74 | ERCC1 (0.55) | ALDH1A1KDM4E | |
| SCHEMBL12377032 | 0.73 | CYP2A6 (0.84) | KIF11MMP3ALDH1A1CYP2A6CA12 | |
| Water SCHEMBL28512959 | 0.73 | CYP2A6 (0.84) | KIF11MMP3ALDH1A1CYP2A6CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-20170190713-A1 | FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF | WUXI APPTEC (HONG KONG) CO., LIMITED (HK) | 2017-07-06 | — | — | US | disclosed |
| US-20080176906-A1 | Substituted Pyrrole Derivative | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-07-24 | — | — | US | disclosed |
| US-20080176906-A1 | Substituted Pyrrole Derivative | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-07-24 | — | — | US | disclosed |
| US-20080176906-A1 | Substituted Pyrrole Derivative | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-07-24 | — | — | US | disclosed |
| WO-2007145349-A2 | SUBSTITUTED PYRROLE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-12-21 | — | — | WO | disclosed |
| WO-2007145349-A2 | SUBSTITUTED PYRROLE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-12-21 | — | — | WO | disclosed |
| EP-1824841-A1 | SUBSTITUTED PYRROLE DERIVATIVE | Takeda Pharmaceutical Company Limited (JP) | 2007-08-29 | — | — | EP | disclosed |
| WO-2006064944-A1 | SUBSTITUTED PYRROLE DERIVATIVE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-06-22 | — | — | 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 (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-20170190713-A1 | FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF | MKNK2, CYP2J2, PTGS2 | KIF11 227/4885MMP3 3583/4885ALDH1A1 4091/4885 |
| US-20080176906-A1 | Substituted Pyrrole Derivative | AR, NR5A1, MC2R | KIF11 3224/4885MMP3 3456/4885ALDH1A1 408/4885 |
“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.