Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 1/20 | 0.44 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.44 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 5/20 | 0.42 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.41 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.41 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.41 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1841531 | 0.72 | LRRK2 (0.43) | PIM1MKNK1MKNK2CLK4LRRK2 | |
| SCHEMBL1838247 | 0.72 | LRRK2 (0.51) | PIM1LRRK2DYRK1A | |
| SCHEMBL28474570 | 0.72 | HTR2C (0.49) | HTR2CCYP1A2CYP3A4CYP2D6USP2 | |
| SCHEMBL1592892 | 0.71 | PIM1 (0.45) | PIM1PIM3PIM2BMPR1BBMPR1A | |
| SCHEMBL30295802 | 0.69 | LRRK2 (0.67) | LRRK2 | |
| SCHEMBL13826604 | 0.68 | LRRK2 (0.47) | CYP1A2CYP3A4CLK4LRRK2LMNA | |
| Hydrochloric Acid SCHEMBL2798625 | 0.68 | HTR2C (0.45) | PIM1HTR2CLRRK2ROCK1CDC42BPA | |
| SCHEMBL1838682 | 0.68 | LRRK2 (0.43) | PIM1MKNK1MKNK2ALDH1A1CLK4 | |
| SCHEMBL1792053 | 0.67 | RPS6KB1 (0.61) | ALDH1A1LMNA | |
| SCHEMBL6643085 | 0.66 | ADRB2 (0.56) | PIM1PIM3PIM2HTR2CBMPR1B |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2011526931-A | — | — | 2011-10-20 | — | — | JP | claimed |
| US-20110201599-A1 | CDK Modulators | EXELIXIS, INC. (US) | 2011-08-18 | — | — | US | claimed |
| EP-2320895-A2 | CDK MODULATORS | Exelixis, Inc. (US) | 2011-05-18 | — | — | EP | claimed |
| WO-2010003133-A2 | CDK MODULATORS | EXELIXIS INC. (US) | 2010-01-07 | — | — | WO | claimed |
| US-20110201599-A1 | CDK Modulators | EXELIXIS, INC. (US) | 2011-08-18 | — | — | US | disclosed |
| US-20110201599-A1 | CDK Modulators | EXELIXIS, INC. (US) | 2011-08-18 | — | — | US | disclosed |
| CN-102143746-A | CDK modulators | EXELIXIS INC | 2011-08-03 | — | — | CN | disclosed |
| EP-2320895-A2 | CDK MODULATORS | Exelixis, Inc. (US) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010003133-A2 | CDK MODULATORS | EXELIXIS INC. (US) | 2010-01-07 | — | — | 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-20110201599-A1 | CDK Modulators | CDK3, CDK1, CDKL1 | PIM1 815/4885PIM3 961/4885PIM2 1248/4885 |
“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.