Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.82 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.82 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL3543383 | 0.93 | CYP2C9 (0.71) | CYP2C9CYP2D6LMNAHTR4TSHR | |
| SCHEMBL12427422 | 0.90 | SLC29A1 (0.66) | CYP2C9CYP2D6HTR4MEN1KMT2A | |
| SCHEMBL26307601 | 0.90 | CYP2C9 (1.00) | CYP2C9CYP2D6LMNATSHRMEN1 | |
| SCHEMBL12427360 | 0.89 | CYP2D6 (0.64) | CYP2C9CYP2D6LMNAHTR4TSHR | |
| SCHEMBL12426657 | 0.89 | SLC29A1 (0.65) | CYP2C9CYP2D6HTR4KMT2ASMN1; SMN2 | |
| SCHEMBL12427425 | 0.88 | CYP2D6 (0.63) | CYP2C9CYP2D6LMNAHTR4TSHR | |
| SCHEMBL13575609 | 0.88 | CYP2D6 (0.63) | CYP2C9CYP2D6LMNAHTR4TSHR | |
| SCHEMBL12426329 | 0.86 | HTR4 (0.68) | CYP2C9CYP2D6HTR4KMT2ASLC29A1 | |
| SCHEMBL10318171 | 0.83 | POLB (0.69) | CYP2C9CYP2D6LMNATSHRALDH1A1 | |
| SCHEMBL3542972 | 0.83 | SMN1; SMN2 (0.68) | CYP2C9CYP2D6HTR4HPGDKMT2A |
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-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 |
| WO-2009153197-A1 | HALO-SUBSTITUTED PYRIMIDODIAZEPINES AS PLKL INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-23 | — | — | WO | 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 | CYP2C9 3029/4885CYP2D6 2081/4885LMNA 2080/4885 |
“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.