Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | ATM | Q13315 | 2/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL28946803 | 0.78 | TDP1 (0.50) | CES1ALDH1A1CES2TSHRDAO | |
| Trifluoroacetic Acid SCHEMBL5892926 | 0.78 | CES1 (0.50) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL1436220 | 0.77 | CES1 (0.60) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL1538176 | 0.76 | TDP1 (0.42) | CES1ALDH1A1CES2TSHRTDP1 | |
| Water SCHEMBL3137210 | 0.76 | CES1 (0.58) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL6368960 | 0.75 | CES1 (0.48) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL4412150 | 0.74 | CES1 (0.56) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL535039 | 0.74 | CES1 (0.52) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL44226 | 0.74 | CES1 (0.52) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL6203165 | 0.74 | CES1 (0.45) | CES1ALDH1A1CES2TSHRDAO |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017106930-A1 | COMPOUNDS | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2017-06-29 | — | — | WO | disclosed |
| US-20090082362-A1 | Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure | BAKTHAVATCHALAM RAJAGOPAL | 2009-03-26 | — | — | US | disclosed |
| US-6723730-B2 | DIARYL PIPERAZINES AND RELATED COMPOUNDS USEFUL IN THE TREATMENT OF A CHRONIC AND ACUTE PAIN CONDITIONS, ITCH AND URINARY INCONTINENCE. | NEUROGEN CORPORATION | 2004-04-20 | — | — | 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-20090082362-A1 | Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure | TRPV1, TRPA1, TRPV5 | CES1 2842/4885ALDH1A1 1282/4885CES2 2004/4885 |
“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.