Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | SMO | Q99835 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PYGM | P11217 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12826288 | 0.83 | SMO (0.51) | ALDH1A1SMO | |
| SCHEMBL10316145 | 0.83 | SMO (0.47) | ALDH1A1SMOLMNA | |
| SCHEMBL11976395 | 0.82 | SMO (0.49) | ALDH1A1TSHRSMOKDM4E | |
| SCHEMBL10316205 | 0.82 | SMO (0.49) | ALDH1A1SMOMAPTKDM4E | |
| SCHEMBL10316191 | 0.82 | RORC (0.45) | ALDH1A1SMO | |
| SCHEMBL10004581 | 0.81 | SMO (0.49) | ALDH1A1SMOLMNAMEN1KMT2A | |
| SCHEMBL10004809 | 0.81 | SMO (0.47) | ALDH1A1TSHRSMOKDM4EMEN1 | |
| SCHEMBL10316157 | 0.80 | SMO (0.50) | ALDH1A1TSHRSMOLMNAMAPT | |
| SCHEMBL10316161 | 0.79 | POLB (0.51) | ALDH1A1POLBTSHRSMOLMNA | |
| SCHEMBL11976394 | 0.79 | SMO (0.48) | ALDH1A1SMO |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8927718-B2 | Fused heterocyclic ring derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-01-06 | — | — | US | disclosed |
| US-8927718-B2 | Fused heterocyclic ring derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-01-06 | — | — | US | disclosed |
| US-20120208794-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-08-16 | — | — | US | disclosed |
| US-20120208794-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-08-16 | — | — | US | disclosed |
| EP-2471791-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2012-07-04 | — | — | 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-20120208794-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | SMO, GLI1, SHH | ALDH1A1 321/4885POLB 4723/4885TSHR 2374/4885 |
“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.