Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 5/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | CNKSR1 | Q969H4 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12876290 | 0.91 | MAPK1 (0.38) | MAPK1GRM5L3MBTL1GAAAKT1 | |
| SCHEMBL2856251 | 0.90 | GRM5 (0.45) | MAPK1GRM5L3MBTL1GAAGRM2 | |
| SCHEMBL12876124 | 0.88 | GRM5 (0.47) | MAPK1GRM5L3MBTL1GAAAKT1 | |
| SCHEMBL1199071 | 0.87 | GAA (0.43) | MAPK1L3MBTL1GAAAKT1CNKSR1 | |
| SCHEMBL12876280 | 0.85 | GRM2 (0.36) | MAPK1GRM5L3MBTL1GAAAKT1 | |
| SCHEMBL12876298 | 0.85 | MAPK1 (0.36) | MAPK1GRM5L3MBTL1GAAAKT1 | |
| SCHEMBL12876283 | 0.84 | GRM2 (0.38) | MAPK1L3MBTL1GAAAKT1CNKSR1 | |
| SCHEMBL12875915 | 0.84 | MAPK1 (0.44) | MAPK1GRM5L3MBTL1GAAAKT1 | |
| SCHEMBL12875680 | 0.82 | L3MBTL1 (0.44) | MAPK1L3MBTL1GAAAKT1CNKSR1 | |
| SCHEMBL1198832 | 0.81 | ALK (0.42) | MAPK1GRM5L3MBTL1GAAGRM2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8461348-B2 | Heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-06-11 | — | — | US | disclosed |
| US-20110028493-A1 | HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-02-03 | — | — | 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 (1 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-20110028493-A1 | HETEROCYCLIC DERIVATIVE AND USE THEREOF | PDE3B, PDE5A, PDE2A | MAPK1 255/4885ACACB 2653/4885GRM5 788/4885 |
“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.