Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | PPARA | Q07869 | 3/20 | 0.47 |
| ▸ | PPARG | P37231 | 2/20 | 0.47 |
| ▸ | DCK | P27707 | 1/20 | 0.46 |
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
| ▸ | ALPI | P09923 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1199289 | 0.86 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2MAPTMEN1KMT2A | |
| SCHEMBL12876901 | 0.81 | DCK (0.47) | ALDH1A1MAPTMEN1KMT2APPARA | |
| SCHEMBL2094451 | 0.81 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2MAPTMEN1KMT2A | |
| SCHEMBL1198871 | 0.80 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2MAPTMEN1KMT2A | |
| SCHEMBL2094449 | 0.79 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2MAPTMEN1KMT2A | |
| SCHEMBL1198904 | 0.78 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2MAPTMEN1KMT2A | |
| SCHEMBL16398991 | 0.76 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2MAPTMEN1KMT2A | |
| SCHEMBL1198527 | 0.75 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2MAPTMEN1KMT2A | |
| SCHEMBL1199183 | 0.75 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2MAPTMEN1KMT2A | |
| SCHEMBL13650688 | 0.74 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2MAPTMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-102056907-B | Heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL | 2014-12-31 | — | — | CN | disclosed |
| US-8461348-B2 | Heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-06-11 | — | — | US | disclosed |
| US-8461348-B2 | Heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-06-11 | — | — | US | disclosed |
| CN-102056907-A | Heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL | 2011-05-11 | — | — | CN | disclosed |
| US-20110028493-A1 | HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-02-03 | — | — | US | disclosed |
| US-20110028493-A1 | HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-02-03 | — | — | US | disclosed |
| EP-2264017-A1 | HETEROCYCLIC DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2010-12-22 | — | — | EP | disclosed |
| EP-2264017-A1 | HETEROCYCLIC DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2010-12-22 | — | — | 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 (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 | ALDH1A1 1037/4885SMN1; SMN2 2057/4885MAPT 4667/4885 |
“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.