Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | DRD1 | P21728 | 2/20 | 0.55 |
| ▸ | DRD4 | P21917 | 2/20 | 0.55 |
| ▸ | DRD3 | P35462 | 2/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.55 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.55 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.55 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.55 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.55 |
| ▸ | HRH2 | P25021 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL7239560 | 0.83 | ALDH1A1 (0.51) | ALDH1A1CYP2C19DRD1DRD4DRD3 | |
| SCHEMBL17552584 | 0.81 | CYP2C19 (0.52) | ALDH1A1CYP2C19DRD1DRD4DRD3 | |
| SCHEMBL14277821 | 0.80 | ALDH1A1 (0.58) | ALDH1A1CYP2C19DRD1DRD4DRD3 | |
| SCHEMBL6370163 | 0.77 | CYP2C19 (0.59) | ALDH1A1CYP2C19DRD1DRD4DRD3 | |
| SCHEMBL5371755 | 0.77 | ALDH1A1 (0.55) | ALDH1A1CYP2C19DRD1DRD4DRD3 | |
| SCHEMBL14067429 | 0.77 | ALDH1A1 (0.55) | ALDH1A1CYP2C19DRD1DRD4DRD3 | |
| SCHEMBL5242066 | 0.75 | ALDH1A1 (0.52) | ALDH1A1CYP2C19DRD1DRD4DRD3 | |
| SCHEMBL10753513 | 0.75 | ALDH1A1 (0.56) | ALDH1A1CYP2C19DRD1DRD4DRD3 | |
| SCHEMBL5379151 | 0.75 | ALDH1A1 (0.52) | ALDH1A1CYP2C19DRD1DRD4DRD3 | |
| SCHEMBL3450752 | 0.74 | KDM4E (0.49) | ALDH1A1DRD3HTR2BKDM4EHTR7 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3189063-B1 | BASE-CATALYZED SILYLATION OF TERMINIAL ALKYNE C-H BONDS | CALIFORNIA INST OF TECHN (US) | 2019-08-14 | — | — | EP | disclosed |
| EP-3189063-B1 | BASE-CATALYZED SILYLATION OF TERMINIAL ALKYNE C-H BONDS | CALIFORNIA INST OF TECHN (US) | 2019-08-14 | — | — | EP | disclosed |
| US-10072030-B2 | Base-catalyzed silylation of terminal alkyne C—H bonds | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2018-09-11 | — | — | US | disclosed |
| EP-3189063-A1 | BASE-CATALYZED SILYLATION OF TERMINIAL ALKYNE C-H BONDS | California Institute of Technology (US) | 2017-07-12 | — | — | EP | disclosed |
| US-20170088563-A1 | BASE-CATALYZED SILYLATION OF TERMINAL ALKYNE C-H BONDS | NATIONAL SCIENCE FOUNDATION | 2017-03-30 | — | — | US | disclosed |
| US-20170088563-A1 | BASE-CATALYZED SILYLATION OF TERMINAL ALKYNE C-H BONDS | NATIONAL SCIENCE FOUNDATION | 2017-03-30 | — | — | US | disclosed |
| US-20170088563-A1 | BASE-CATALYZED SILYLATION OF TERMINAL ALKYNE C-H BONDS | NATIONAL SCIENCE FOUNDATION | 2017-03-30 | — | — | US | disclosed |
| US-9556206-B2 | Base-catalyzed silylation of terminal alkyne C—H bonds | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2017-01-31 | — | — | US | disclosed |
| US-9556206-B2 | Base-catalyzed silylation of terminal alkyne C—H bonds | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2017-01-31 | — | — | US | disclosed |
| US-9556206-B2 | Base-catalyzed silylation of terminal alkyne C—H bonds | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2017-01-31 | — | — | US | disclosed |
| WO-2016036685-A1 | BASE-CATALYZED SILYLATION OF TERMINIAL ALKYNE C-H BONDS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2016-03-10 | — | — | WO | disclosed |
| WO-2016036685-A1 | BASE-CATALYZED SILYLATION OF TERMINIAL ALKYNE C-H BONDS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2016-03-10 | — | — | WO | disclosed |
| US-20160060278-A1 | BASE-CATALYZED SILYLATION OF TERMINAL ALKYNE C-H BONDS | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2016-03-03 | — | — | US | disclosed |
| US-20160060278-A1 | BASE-CATALYZED SILYLATION OF TERMINAL ALKYNE C-H BONDS | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2016-03-03 | — | — | US | disclosed |
| US-20160060278-A1 | BASE-CATALYZED SILYLATION OF TERMINAL ALKYNE C-H BONDS | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2016-03-03 | — | — | 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 (3 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-20160060278-A1 | BASE-CATALYZED SILYLATION OF TERMINAL ALKYNE C-H BONDS | ALKBH3, CA3, ALKBH2 | ALDH1A1 988/4885CYP2C19 3735/4885DRD1 3184/4885 |
| US-20170088563-A1 | BASE-CATALYZED SILYLATION OF TERMINAL ALKYNE C-H BONDS | ALKBH3, CA3, ALKBH2 | ALDH1A1 914/4885CYP2C19 3756/4885DRD1 3216/4885 |
| US-10072030-B2 | Base-catalyzed silylation of terminal alkyne C—H bonds | ALKBH3, CA3, ALKBH2 | ALDH1A1 929/4885CYP2C19 3646/4885DRD1 3124/4885 |
“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.