Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.43 |
| ▸ | KDM1A | O60341 | 4/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | ADH1B | P00325 | 2/20 | 0.33 |
| ▸ | ADH1C | P00326 | 2/20 | 0.33 |
| ▸ | ADH1A | P07327 | 2/20 | 0.33 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.33 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.33 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.33 |
| ▸ | ADH7 | P40394 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | ADH4 | P08319 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2877988 | 1.00 | ALDH1A1 (0.52) | ALDH1A1HSD17B10KCNH2EPHX1KDM1A | |
| SCHEMBL2878079 | 1.00 | ALDH1A1 (0.52) | ALDH1A1HSD17B10KCNH2EPHX1KDM1A | |
| Hydrochloric Acid SCHEMBL2868834 | 0.98 | ALDH1A1 (0.50) | ALDH1A1HSD17B10KCNH2EPHX1KDM1A | |
| Hydrochloric Acid SCHEMBL2868836 | 0.98 | ALDH1A1 (0.50) | ALDH1A1HSD17B10KCNH2EPHX1KDM1A | |
| SCHEMBL5827271 | 0.98 | ALDH1A1 (0.57) | ALDH1A1HSD17B10KCNH2EPHX1KDM1A | |
| SCHEMBL3813652 | 0.98 | ALDH1A1 (0.57) | ALDH1A1HSD17B10KCNH2EPHX1KDM1A | |
| Hydrochloric Acid SCHEMBL2875182 | 0.98 | ALDH1A1 (0.50) | ALDH1A1HSD17B10KCNH2EPHX1KDM1A | |
| SCHEMBL5808030 | 0.95 | KCNH2 (0.46) | ALDH1A1HSD17B10KCNH2EPHX1KDM1A | |
| SCHEMBL21425605 | 0.95 | KCNH2 (0.46) | ALDH1A1HSD17B10KCNH2EPHX1KDM1A | |
| Hydrochloric Acid SCHEMBL31209185 | 0.93 | KCNH2 (0.45) | ALDH1A1HSD17B10KCNH2EPHX1KDM1A |
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-8410100-B2 | Pteridinone derivatives as PI3-kinases inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-04-02 | — | — | US | disclosed |
| EP-2114945-B1 | PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2010-10-20 | — | — | EP | disclosed |
| US-20100099680-A1 | PTERIDINONE DERIVATIVES AS P13-KINASES INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-22 | — | — | US | disclosed |
| EP-1953163-A1 | Pteridinone derivatives as PI3-kinases inhibitors | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2008-08-06 | — | — | EP | disclosed |
| EP-1660185-A2 | TREATMENT OF STUTTERING AND OTHER COMMUNICATION DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS | ELI LILLY AND COMPANY (US) | 2006-05-31 | — | — | EP | disclosed |
| WO-2005021095-A2 | TREATMENT OF STUTTERING AND OTHER COMMUNICATION DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS | ELI LILLY AND COMPANY (US) | 2005-03-10 | — | — | 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-20100099680-A1 | PTERIDINONE DERIVATIVES AS P13-KINASES INHIBITORS | PIK3CA, PDPK1, PIK3C3 | ALDH1A1 2879/4885HSD17B10 4053/4885KCNH2 1980/4885 |
“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.