Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR4 | Q13639 | 1/20 | 0.48 |
| ▸ | USP30 | Q70CQ3 | 3/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.46 |
| ▸ | DRD4 | P21917 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | KDM5A | P29375 | 1/20 | 0.45 |
| ▸ | PLD2 | O14939 | 1/20 | 0.44 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12426777 | 1.00 | HTR4 (0.48) | HTR4USP30MCHR1DRD4ALDH1A1 | |
| SCHEMBL10143889 | 0.86 | USP30 (0.58) | USP30ALDH1A1 | |
| SCHEMBL13575604 | 0.86 | USP30 (0.58) | USP30ALDH1A1 | |
| SCHEMBL13846090 | 0.86 | HTR4 (0.54) | HTR4USP30MCHR1 | |
| SCHEMBL13175736 | 0.86 | HTR4 (0.54) | HTR4USP30MCHR1 | |
| SCHEMBL13575483 | 0.86 | CRBN (0.53) | HTR4MCHR1ALDH1A1TSHRMEN1 | |
| SCHEMBL3544670 | 0.86 | HTR4 (0.54) | HTR4USP30MCHR1 | |
| SCHEMBL12894091 | 0.84 | KMT2A (0.60) | MCHR1ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL13846128 | 0.84 | ACHE (0.49) | HTR4USP30MCHR1ALDH1A1TSHR | |
| SCHEMBL738237 | 0.83 | HTR4 (0.53) | HTR4MCHR1KMT2A |
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-8003785-B2 | Halo-substituted pyrimidodiazepines | TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) | 2011-08-23 | — | — | US | disclosed |
| US-20090318408-A1 | HALO-SUBSTITUTED PYRIMIDODIAZEPINES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-12-24 | — | — | 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-20090318408-A1 | HALO-SUBSTITUTED PYRIMIDODIAZEPINES | PLK1, CCNI, CDK1 | HTR4 2822/4885USP30 3379/4885MCHR1 3862/4885 |
“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.