Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 4/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.36 |
| ▸ | APBA1 | Q02410 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 7/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12435278 | 0.78 | HTR3E (0.43) | P2RX7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL25620027 | 0.73 | MAP3K5 (0.45) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL5551503 | 0.70 | ALDH1A1 (0.70) | ALDH1A1MAPTHPGDHTTCACNA1B | |
| SCHEMBL7916517 | 0.70 | TACR1 (0.36) | ALDH1A1MAPTHPGD | |
| SCHEMBL4408113 | 0.69 | ALDH1A1 (0.68) | ALDH1A1MAPTHPGDHTTCACNA1B | |
| SCHEMBL5551521 | 0.69 | ALDH1A1 (0.46) | ALDH1A1MAPTHPGDHTTCACNA1B | |
| SCHEMBL6923107 | 0.67 | TACR1 (0.36) | ALDH1A1MAPTHPGD | |
| SCHEMBL4204766 | 0.67 | ALDH1A1 (0.58) | ALDH1A1MAPTHPGDHTTCACNA1B | |
| SCHEMBL4210628 | 0.65 | ALDH1A1 (0.43) | ALDH1A1MAPTHPGDHTTCACNA1B | |
| SCHEMBL6541068 | 0.65 | NOTUM (0.46) | ALDH1A1MAPTHPGDHTTCACNA1B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE48334-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-12-01 | — | — | US | disclosed |
| US-8470816-B2 | Nitrogen-containing heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-06-25 | — | — | US | disclosed |
| US-20090156572-A1 | Nitrogen-containing heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2009-06-18 | — | — | 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-20090156572-A1 | Nitrogen-containing heterocyclic compound and use thereof | NTSR2, NTSR1, HNMT | P2RX7 941/4885HTR3E 215/4885HTR3B 96/4885 |
“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.