Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | INPPL1 | O15357 | 1/20 | 0.42 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.41 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.41 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.41 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.40 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9400849 | 0.83 | HTR3A (0.54) | TAAR1ALDH1A1KDM4EINPPL1ADRB1 | |
| SCHEMBL6787637 | 0.83 | HTR7 (0.54) | TAAR1ALDH1A1KDM4EFEN1ACVR1 | |
| SCHEMBL4582837 | 0.83 | HTR1A (0.54) | TAAR1ALDH1A1KDM4ECHRNB2CHRNA4 | |
| SCHEMBL9400977 | 0.83 | TAAR1 (0.64) | TAAR1ALDH1A1KDM4EACVR1BMPR1A | |
| SCHEMBL25255051 | 0.82 | ALDH1A1 (0.59) | TAAR1ALDH1A1KDM4ECHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL20293632 | 0.82 | HTR7 (0.52) | TAAR1ALDH1A1KDM4EFEN1ACVR1 | |
| Hydrochloric Acid SCHEMBL20293649 | 0.82 | HTR3A (0.52) | TAAR1ALDH1A1KDM4EINPPL1ADRB1 | |
| Hydrochloric Acid SCHEMBL6786943 | 0.82 | HTR7 (0.52) | TAAR1ALDH1A1KDM4EFEN1ACVR1 | |
| SCHEMBL4582030 | 0.81 | TAAR1 (0.48) | TAAR1ALDH1A1KDM4EMAPTFEN1 | |
| SCHEMBL6785572 | 0.81 | HRH3 (0.49) | TAAR1ALDH1A1KDM4EHRH1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2139483-B9 | COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER | EXELIXIS INC (US) | 2014-05-21 | — | — | EP | disclosed |
| US-8362017-B2 | N-[5-chloro-2-(methyloxy)phenyl]-2-{[3-(1H-tetrazol-1-yl)phenyl]oxy}acetamide; antiproliferative agents; protein kinase inhibitors; drug screening | EXELIXIS, INC. (US) | 2013-01-29 | — | — | US | disclosed |
| US-20080096892-A1 | C-Kit Modulators And Methods Of Use | EXELIXIS, INC. (US) | 2008-04-24 | — | — | 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 (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-20080096892-A1 | C-Kit Modulators And Methods Of Use | KIT, PRKCH, PRKCB | TAAR1 4080/4885ALDH1A1 2190/4885KDM4E 1020/4885 |
“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.