Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAT2A | P31153 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 4/20 | 0.35 |
| ▸ | NOS1 | P29475 | 4/20 | 0.35 |
| ▸ | NOS2 | P35228 | 4/20 | 0.35 |
| ▸ | TNKS | O95271 | 1/20 | 0.35 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.34 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.34 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.34 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11853247 | 0.78 | TNKS (0.42) | ADRA1DADRA1AADRA1BHTR2ATNKS | |
| SCHEMBL3580000 | 0.75 | NOS3 (0.44) | NOS3NOS1NOS2IDO1TP53 | |
| SCHEMBL9577985 | 0.75 | CYP11B2 (0.36) | CYP11B2CHRM1 | |
| SCHEMBL607256 | 0.74 | PKM (0.44) | MAT2ANOS3NOS1NOS2MAPT | |
| SCHEMBL29811258 | 0.74 | PKM (0.44) | MAT2ANOS3NOS1NOS2MAPT | |
| SCHEMBL10846917 | 0.71 | NPSR1 (0.51) | OPRM1CHRM1MAPK1HTTATM | |
| SCHEMBL1397544 | 0.71 | PTGER4 (0.52) | NOS3NOS1NOS2IDO1TP53 | |
| SCHEMBL31433786 | 0.71 | IRAK4 (0.33) | CYP11B2IDO1CHRM1 | |
| SCHEMBL20685538 | 0.68 | KCNH2 (0.46) | MAT2ADRD2SLC6A4HTR1AADRA2A | |
| SCHEMBL5535346 | 0.68 | IDO1 (0.54) | NOS3NOS1NOS2IDO1TP53 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8604023-B2 | 1,4-benzodiazepinone compounds and their use in treating cancer | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2013-12-10 | — | — | US | disclosed |
| US-20120094982-A1 | 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2012-04-19 | — | — | US | disclosed |
| US-20120094982-A1 | 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2012-04-19 | — | — | US | disclosed |
| US-20120094982-A1 | 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2012-04-19 | — | — | US | disclosed |
| WO-2010121164-A2 | 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2010-10-21 | — | — | WO | disclosed |
| WO-2010121164-A2 | 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2010-10-21 | — | — | 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-20120094982-A1 | 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER | HTR4, HTR1A, HTR3B | MAT2A 1448/4885DRD2 309/4885SLC6A4 112/4885 |
“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.