Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.69 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.68 |
| ▸ | ACHE | P22303 | 3/20 | 0.64 |
| ▸ | TEAD1 | P28347 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | DRD2 | P14416 | 2/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | GHSR | Q92847 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL797735 | 0.90 | SIGMAR1 (0.60) | HRH3SIGMAR1ACHETEAD1MEN1 | |
| SCHEMBL17243556 | 0.87 | HRH3 (0.65) | HRH3SIGMAR1ACHETEAD1KCNH2 | |
| SCHEMBL12449549 | 0.86 | TEAD1 (0.58) | HRH3SIGMAR1TEAD1MEN1KMT2A | |
| SCHEMBL1044315 | 0.85 | KCNH2 (0.58) | HRH3SIGMAR1TEAD1MEN1KMT2A | |
| SCHEMBL14242820 | 0.85 | HRH3 (0.67) | HRH3SIGMAR1ACHETEAD1KCNH2 | |
| SCHEMBL12412709 | 0.85 | ALDH1A1 (0.59) | HRH3SIGMAR1ACHETEAD1MEN1 | |
| SCHEMBL9139565 | 0.85 | TEAD1 (0.53) | HRH3SIGMAR1ACHETEAD1MEN1 | |
| SCHEMBL13602641 | 0.85 | TEAD1 (0.53) | HRH3SIGMAR1TEAD1MEN1KMT2A | |
| SCHEMBL24105582 | 0.83 | HRH3 (0.69) | HRH3SIGMAR1ACHELMNA | |
| SCHEMBL798068 | 0.82 | HRH3 (0.58) | HRH3SIGMAR1TEAD1KCNH2LMNA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230159491-A1 | Antimicrobial Compounds and Methods | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2023-05-25 | — | — | US | disclosed |
| US-9216980-B2 | Methods of use of diazacarbazoles for treating cancer | GENENTECH, INC. (US) | 2015-12-22 | — | — | US | disclosed |
| US-20150087630-A1 | METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER | GENENTECH, INC. (US) | 2015-03-26 | — | — | US | disclosed |
| US-8802663-B2 | Pyrazole oxadiazole derivatives as S1P1 agonists | MERCK SERONO SA (CH) | 2014-08-12 | — | — | US | disclosed |
| US-20130261104-A1 | METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER | GENENTECH, INC. (US) | 2013-10-03 | — | — | US | disclosed |
| US-8501765-B2 | Diazacarbazoles and methods of use | GENENTECH, INC. (US) | 2013-08-06 | — | — | US | disclosed |
| US-20120071460-A1 | PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS | MERCK SERONO SA (CH) | 2012-03-22 | — | — | US | disclosed |
| US-20110118230-A1 | DIAZACARBAZOLES AND METHODS OF USE | GENENTECH, INC. | 2011-05-19 | — | — | 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 (5 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-20230159491-A1 | Antimicrobial Compounds and Methods | MPO, NISCH, RPN2 | HRH3 2165/4885SIGMAR1 1380/4885ACHE 1534/4885 |
| US-20110118230-A1 | DIAZACARBAZOLES AND METHODS OF USE | CHEK1, CHEK2, BUB1B | HRH3 1289/4885SIGMAR1 4777/4885ACHE 4058/4885 |
| US-20120071460-A1 | PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS | S1PR1, S1PR3, S1PR2 | HRH3 196/4885SIGMAR1 501/4885ACHE 3634/4885 |
| US-20150087630-A1 | METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER | IDH3B, IDH3A, EGLN3 | HRH3 690/4885SIGMAR1 1624/4885ACHE 1733/4885 |
| US-20130261104-A1 | METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER | IDH3B, IDH3A, EGLN3 | HRH3 690/4885SIGMAR1 1624/4885ACHE 1733/4885 |
“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.