Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 2/20 | 0.43 |
| ▸ | KDR | P35968 | 2/20 | 0.43 |
| ▸ | MERTK | Q12866 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.37 |
| ▸ | GLA | P06280 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.36 |
| ▸ | JUN | P05412 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.36 |
| ▸ | RELA | Q04206 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 5/20 | 0.36 |
| ▸ | USP2 | O75604 | 5/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.36 |
| ▸ | CASP1 | P29466 | 5/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14879279 | 0.87 | CDK1 (0.47) | CDK1KDRMERTKADORA1ALDH1A1 | |
| SCHEMBL2967774 | 0.83 | CDK1 (0.46) | CDK1KDRMERTKADORA1ALDH1A1 | |
| SCHEMBL2964755 | 0.75 | MERTK (0.44) | CDK1KDRMERTKADORA1ALDH1A1 | |
| SCHEMBL13202503 | 0.73 | MEN1 (0.46) | CDK1KDRMERTKADORA1ALDH1A1 | |
| SCHEMBL25171710 | 0.68 | TDO2 (0.40) | ADORA1ALDH1A1CYP1A2KDM4EHPGD | |
| SCHEMBL2974303 | 0.62 | GRM5 (0.58) | ALDH1A1GAAKDM4ELMNAGRM5 | |
| SCHEMBL2980649 | 0.61 | CYP1A2 (0.49) | CDK1KDRADORA1ALDH1A1CYP1A2 | |
| SCHEMBL3971542 | 0.61 | ADORA2A (0.53) | CDK1KDRADORA1ALDH1A1CYP1A2 | |
| SCHEMBL6440667 | 0.61 | ADORA2A (0.59) | CDK1KDRADORA1ALDH1A1CYP1A2 | |
| SCHEMBL507106 | 0.60 | GRM5 (0.49) | ALDH1A1KDM4EHPGDMEN1KMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8557996-B2 | Heteroaryl-substituted alkyne compounds and method of use | AMGEN INC. (US) | 2013-10-15 | — | — | US | disclosed |
| EP-1802586-B1 | HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE | AMGEN INC (US) | 2013-04-24 | — | — | EP | disclosed |
| US-7776869-B2 | Heteroaryl-substituted alkyne compounds and method of use | AMGEN INC. (US) | 2010-08-17 | — | — | US | disclosed |
| US-20100160283-A1 | HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE | AMGEN INC. (US) | 2010-06-24 | — | — | US | disclosed |
| EP-1802586-A2 | HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE | Amgen Inc. (US) | 2007-07-04 | — | — | EP | disclosed |
| US-20060217380-A1 | Heteroaryl-substituted alkyne compounds and method of use | AMGEN INC. | 2006-09-28 | — | — | US | disclosed |
| WO-2006044823-A2 | HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE | AMGEN INC. (US) | 2006-04-27 | — | — | 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 (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-20100160283-A1 | HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE | IRAK3, IRAK1, MAP3K1 | CDK1 46/4885KDR 666/4885MERTK 943/4885 |
| US-20060217380-A1 | Heteroaryl-substituted alkyne compounds and method of use | IRAK3, IRAK1, MAP3K1 | CDK1 46/4885KDR 666/4885MERTK 943/4885 |
“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.