Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7703176 | 0.81 | HTT (0.38) | HTT | |
| SCHEMBL16908691 | 0.78 | TSHR (0.41) | TSHRALDH1A1HTTCYP2D6CYP2C19 | |
| SCHEMBL16908674 | 0.78 | TSHR (0.37) | TSHRALDH1A1HTTCYP2D6CYP2C19 | |
| SCHEMBL27730182 | 0.78 | TSHR (0.31) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL9652201 | 0.77 | — | — | |
| SCHEMBL1598539 | 0.76 | — | — | |
| SCHEMBL23971267 | 0.75 | MAPK1 (0.39) | TSHRALDH1A1HIF1AMAPT | |
| Ammonia Solution, Strong SCHEMBL28496426 | 0.74 | ALDH1A1 (0.34) | TSHRALDH1A1 | |
| SCHEMBL28914056 | 0.74 | ALDH1A1 (0.34) | TSHRALDH1A1TET2MAPT | |
| SCHEMBL30390434 | 0.73 | ALDH1A1 (0.39) | TSHRALDH1A1HTTTET2 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020039769-A1 | Process for preparing optically active 3,3,3- trifluoromethyl-2-alkylpropionic acid derivatives | LONZA AG | 2002-04-04 | — | — | US | claimed |
| US-11976083-B2 | Inhibitors of peptidylarginine deiminases | GILEAD SCIENCES, INC. (US) | 2024-05-07 | — | — | US | disclosed |
| CN-115551862-B | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2024-04-12 | — | — | CN | disclosed |
| EP-4143189-A1 | MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2023-03-08 | — | — | EP | disclosed |
| US-20230002412-A1 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. | 2023-01-05 | — | — | US | disclosed |
| US-20230002412-A1 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. | 2023-01-05 | — | — | US | disclosed |
| CN-115551862-A | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2022-12-30 | — | — | CN | disclosed |
| WO-2021222353-A1 | MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |
| WO-2021222353-A1 | MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |
| EP-1155138-B1 | METHOD FOR PREPARING OPTICALLY ACTIVE 3,3,3-TRIFLUOROMETHYL-2-ALKYL PROPIONIC ACID DERIVATIVES | LONZA AG (CH) | 2005-01-05 | — | — | EP | disclosed |
| US-6599721-B2 | Chemical intermediates; hydrolysis using hydrolases | LONZA AG (CH) | 2003-07-29 | — | — | US | disclosed |
| US-6599721-B2 | Chemical intermediates; hydrolysis using hydrolases | LONZA AG (CH) | 2003-07-29 | — | — | US | disclosed |
| US-6599721-B2 | Chemical intermediates; hydrolysis using hydrolases | LONZA AG (CH) | 2003-07-29 | — | — | US | disclosed |
| US-20020039769-A1 | Process for preparing optically active 3,3,3- trifluoromethyl-2-alkylpropionic acid derivatives | LONZA AG | 2002-04-04 | — | — | US | disclosed |
| US-20020039769-A1 | Process for preparing optically active 3,3,3- trifluoromethyl-2-alkylpropionic acid derivatives | LONZA AG | 2002-04-04 | — | — | US | disclosed |
| US-20020039769-A1 | Process for preparing optically active 3,3,3- trifluoromethyl-2-alkylpropionic acid derivatives | LONZA AG | 2002-04-04 | — | — | US | disclosed |
| EP-1155138-A2 | METHOD FOR PREPARING OPTICALLY ACTIVE 3,3,3-TRIFLUOROMETHYL-2-ALKYL PROPIONIC ACID DERIVATIVES | Lonza AG (CH) | 2001-11-21 | — | — | EP | disclosed |
| WO-2000050623-A3 | METHOD FOR PREPARING OPTICALLY ACTIVE 3,3,3-TRIFLUOROMETHYL-2-ALKYL PROPIONIC ACID DERIVATIVES | LONZA AG (CH) | 2001-04-19 | — | — | WO | disclosed |
| WO-2000050623-A2 | METHOD FOR PREPARING OPTICALLY ACTIVE 3,3,3-TRIFLUOROMETHYL-2-ALKYL PROPIONIC ACID DERIVATIVES | LONZA AG (CH) | 2000-08-31 | — | — | 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-11976083-B2 | Inhibitors of peptidylarginine deiminases | PADI4, PADI2, PADI1 | TSHR 1815/4885ALDH1A1 2537/4885HTT 3084/4885 |
| US-20230002412-A1 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | PADI4, PADI2, PADI1 | TSHR 1815/4885ALDH1A1 2537/4885HTT 3084/4885 |
“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.