Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.61 |
| ▸ | NPC1 | O15118 | 2/20 | 0.61 |
| ▸ | RAB9A | P51151 | 2/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 6/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.45 |
| ▸ | JAK1 | P23458 | 1/20 | 0.45 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MMP3 | P08254 | 1/20 | 0.45 |
| ▸ | MMP7 | P09237 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL376350 | 0.90 | SMN1; SMN2 (0.61) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL23971437 | 0.90 | SMN1; SMN2 (0.61) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL12683407 | 0.89 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL28576271 | 0.89 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL29286151 | 0.89 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL7501174 | 0.89 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL15743061 | 0.86 | SMN1; SMN2 (0.59) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL15743060 | 0.86 | SMN1; SMN2 (0.59) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL15743062 | 0.86 | SMN1; SMN2 (0.59) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL504825 | 0.86 | SMN1; SMN2 (0.68) | SMN1; SMN2NPC1RAB9ACYP2C19HTT |
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 | SMN1; SMN2 3114/4885NPC1 1638/4885RAB9A 2627/4885 |
“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.