Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | HTR1D | P28221 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HCRTR2 | O43614 | 6/20 | 0.43 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.43 |
| ▸ | CHRNG | P07510 | 1/20 | 0.43 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | CHRND | Q07001 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16742117 | 0.87 | TDP1 (0.50) | HTR1AHTR1DHTR2CHCRTR2AKR1B1 | |
| SCHEMBL16744297 | 0.83 | NPC1 (0.44) | KDM4EHTR1AHTR1DHTR2CHCRTR2 | |
| SCHEMBL27624478 | 0.83 | ATM (0.56) | KDM4EHTR1AHTR1DHTR2CHCRTR2 | |
| SCHEMBL6181167 | 0.81 | HTR1A (0.44) | KDM4EHTR1AHTR1DHTR2CHCRTR2 | |
| SCHEMBL13563052 | 0.75 | BACE1 (0.49) | HTR1AHTR1DHTR2CHCRTR2NPC1 | |
| SCHEMBL14967154 | 0.73 | LTB4R (0.53) | KDM4EHCRTR2AKR1B1NPC1RAB9A | |
| SCHEMBL7920992 | 0.73 | HCRTR2 (0.45) | HTR1AHTR2CHCRTR2CHRNB2CHRNA4 | |
| SCHEMBL16369463 | 0.72 | KDM4E (0.47) | KDM4ECHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL24075753 | 0.72 | HCRTR2 (0.50) | HTR1AHTR2CHCRTR2 | |
| SCHEMBL22624396 | 0.72 | MAPK9 (0.33) | KDM4EHCRTR2AKR1B1HPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1507530-B1 | DIAMINOTHIAZOLES AND USE THEREOF AS CDK4 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2005-11-02 | — | — | EP | disclosed |
| EP-1507530-A1 | DIAMINOTHIAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-02-23 | — | — | EP | disclosed |
| US-6818663-B2 | AS INHIBITORS OF CYCLIN-DEPENDENT KINASE 4 (CDK4); ANTIPROLIFERATIVE AGENTS; FOR THERAPY OF CANCER, TUMORS | HOFFMANN-LA ROCHES | 2004-11-16 | — | — | US | disclosed |
| US-20040006058-A1 | DIAMINOTHIAZOLES | CHU XIN-JIE (US) | 2004-01-08 | — | — | US | disclosed |
| WO-2003097048-A1 | DIAMINOTHIAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-11-27 | — | — | 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-20040006058-A1 | DIAMINOTHIAZOLES | CDK4, CDK1, CDK2 | KDM4E 377/4885HTR1A 3390/4885HTR1D 2741/4885 |
“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.