Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17296893 | 0.88 | ATM (0.53) | ATML3MBTL1ALDH1A1KMT2AMEN1 | |
| SCHEMBL3314415 | 0.85 | ALDH1A1 (0.40) | CYP1A2CYP2C9CYP2C19TSHRL3MBTL1 | |
| SCHEMBL3318444 | 0.85 | ATM (0.37) | CYP1A2TSHRATMCNR2ALDH1A1 | |
| SCHEMBL3318441 | 0.85 | ATM (0.37) | CYP1A2TSHRATMCNR2ALDH1A1 | |
| SCHEMBL13871145 | 0.84 | CNR2 (0.39) | CNR2ALDH1A1KMT2AOPRM1OPRK1 | |
| SCHEMBL31253337 | 0.84 | CNR2 (0.44) | CNR2ALDH1A1KMT2ACCR1CNR1 | |
| SCHEMBL3314911 | 0.84 | CNR2 (0.41) | CNR2ALDH1A1KMT2ACCR1CNR1 | |
| SCHEMBL14980950 | 0.83 | ALDH1A1 (0.39) | CNR2ALDH1A1KMT2ACCR1CNR1 | |
| SCHEMBL10597092 | 0.83 | SLC6A2 (0.38) | CYP1A2CYP2C9CYP2C19TSHRATM | |
| SCHEMBL6268395 | 0.83 | CNR2 (0.39) | CNR2ALDH1A1KMT2ACCR1CNR1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9199934-B2 | Alpha-hydroxyketones | BASF SE (DE) | 2015-12-01 | — | — | US | disclosed |
| US-9199934-B2 | Alpha-hydroxyketones | BASF SE (DE) | 2015-12-01 | — | — | US | disclosed |
| US-9199934-B2 | Alpha-hydroxyketones | BASF SE (DE) | 2015-12-01 | — | — | US | disclosed |
| EP-2129659-B1 | ALPHA-HYDROXYKETONES | BASF SE (DE) | 2013-05-29 | — | — | EP | disclosed |
| US-20100105654-A1 | SUBSTITUTED QUINAZOLINONE COMPOUNDS | NOVARTIS VACCINES AND DIAGNOSTICS, INC. | 2010-04-29 | — | — | US | disclosed |
| US-20100104979-A1 | ALPHA-HYDROXYKETONES | IGM GROUP B.V. (NL) | 2010-04-29 | — | — | US | disclosed |
| US-20100104979-A1 | ALPHA-HYDROXYKETONES | IGM GROUP B.V. (NL) | 2010-04-29 | — | — | US | disclosed |
| US-20100104979-A1 | ALPHA-HYDROXYKETONES | IGM GROUP B.V. (NL) | 2010-04-29 | — | — | US | disclosed |
| EP-2129659-A1 | ALPHA-HYDROXYKETONES | BASF SE (DE) | 2009-12-09 | — | — | EP | disclosed |
| WO-2008122504-A1 | ALPHA-HYDROXYKETONES | BASF SE (CH) | 2008-10-16 | — | — | WO | disclosed |
| WO-2008122504-A1 | ALPHA-HYDROXYKETONES | BASF SE (CH) | 2008-10-16 | — | — | 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 (2 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-20100105654-A1 | SUBSTITUTED QUINAZOLINONE COMPOUNDS | MC4R, MC5R, MC2R | CYP1A2 2110/4885CYP2C9 1858/4885CYP2C19 1115/4885 |
| US-20100104979-A1 | ALPHA-HYDROXYKETONES | C9, C1R, CBR3 | CYP1A2 409/4885CYP2C9 217/4885CYP2C19 531/4885 |
“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.