Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL12184895 | 0.89 | ALDH1A1 (0.55) | ALDH1A1KDM4EMAPK1NPC1RAB9A | |
| SCHEMBL4082886 | 0.84 | ALDH1A1 (0.57) | ALDH1A1KDM4EMAPK1NPC1RAB9A | |
| SCHEMBL4076212 | 0.83 | KDM4E (0.48) | ALDH1A1KDM4EHSD17B10HPGDKMT2A | |
| SCHEMBL2635948 | 0.78 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPK1NPC1RAB9A | |
| SCHEMBL29438234 | 0.78 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPK1NPC1RAB9A | |
| SCHEMBL12185358 | 0.78 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPK1NPC1RAB9A | |
| SCHEMBL1018947 | 0.78 | NPSR1 (0.50) | ALDH1A1KDM4EMAPK1NPC1RAB9A | |
| SCHEMBL20284533 | 0.76 | ALDH1A1 (0.51) | ALDH1A1KDM4EMAPK1NPC1RAB9A | |
| SCHEMBL22149667 | 0.76 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPK1NPC1RAB9A | |
| SCHEMBL29891157 | 0.76 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPK1NPC1RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2139892-A1 | SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS | F. Hoffmann-Roche AG (CH) | 2010-01-06 | — | — | EP | disclosed |
| US-7517873-B2 | Substituted pyrimidodiazepines | HOFFMAN-LA ROCHE INC. (US) | 2009-04-14 | — | — | US | disclosed |
| WO-2008113711-A1 | SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-25 | — | — | WO | disclosed |
| US-20080234255-A1 | SUBSTITUTED PYRIMIDODIAZEPINES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-09-25 | — | — | 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-20080234255-A1 | SUBSTITUTED PYRIMIDODIAZEPINES | PLK1, CCNI, CDK1 | ALDH1A1 1365/4885KDM4E 1150/4885MAPK1 854/4885 |
“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.