Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HTR2C | P28335 | 2/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4931987 | 0.91 | KDM4E (0.52) | HTR7TDP1KDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL4930261 | 0.84 | HTR7 (0.47) | HTR7TDP1ALDH1A1ESR1ESR2 | |
| SCHEMBL21555229 | 0.82 | TSHR (0.50) | TDP1KDM4ESMN1; SMN2ALDH1A1CYP2D6 | |
| SCHEMBL4922449 | 0.81 | KDM4E (0.51) | TDP1KDM4ESMN1; SMN2ALDH1A1CYP2D6 | |
| Hydrochloric Acid SCHEMBL4928899 | 0.81 | HTR6 (0.61) | HTR7ALDH1A1HTR2CHTR2ACYP2C19 | |
| SCHEMBL14559927 | 0.79 | HTR1A (0.59) | TDP1CYP2D6CYP2C19LMNACYP1A2 | |
| SCHEMBL1791682 | 0.77 | RPS6KB1 (0.44) | TDP1KDM4ESMN1; SMN2 | |
| SCHEMBL28311408 | 0.75 | KDM4E (0.75) | HTR7TDP1KDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL7012697 | 0.73 | KDM4E (0.84) | TDP1KDM4ESMN1; SMN2ALDH1A1HTT | |
| SCHEMBL11360251 | 0.72 | TDP1 (0.74) | HTR7TDP1KDM4EALDH1A1CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8076338-B2 | Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation | EXELIXIS, INC. (US) | 2011-12-13 | — | — | US | disclosed |
| US-20080076774-A1 | Kinase Modulators and Methods of Use | EXELIXIS, INC. (US) | 2008-03-27 | — | — | US | disclosed |
| EP-1750727-A2 | KINASE MODULATORS AND METHODS OF USE | Exelixis, Inc. (US) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005117909-A2 | KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2005-12-15 | — | — | 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-20080076774-A1 | Kinase Modulators and Methods of Use | AKT3, RPS6KA3, CDK3 | HTR7 2882/4885TDP1 2249/4885KDM4E 1558/4885 |
“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.