Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.41 |
| ▸ | GLRB | P48167 | 1/20 | 0.41 |
| ▸ | RBP4 | P02753 | 2/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.40 |
| ▸ | DHODH | Q02127 | 2/20 | 0.40 |
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL455239 | 0.86 | KEAP1 (0.50) | KEAP1CES2CES1GLRA3GLRB | |
| SCHEMBL27661023 | 0.85 | KEAP1 (0.55) | KEAP1CES2CES1NOTUMDHODH | |
| SCHEMBL12251320 | 0.85 | NPC1 (0.44) | KEAP1CES2CES1ALDH1A1KCNN4 | |
| SCHEMBL222474 | 0.82 | KEAP1 (0.55) | KEAP1CES2CES1RBP4NOTUM | |
| SCHEMBL29406303 | 0.82 | KEAP1 (0.55) | KEAP1CES2CES1RBP4NOTUM | |
| SCHEMBL16953726 | 0.80 | PTGS1 (0.41) | KEAP1CES2CES1KDM4EALDH1A1 | |
| SCHEMBL5873299 | 0.78 | TDP1 (0.57) | CES2GLRA3GLRBNOTUMALDH1A1 | |
| SCHEMBL4238024 | 0.78 | CSNK2A1 (0.57) | GLRA3GLRBNOTUMKDM4EALDH1A1 | |
| SCHEMBL1355563 | 0.78 | RARB (0.49) | GLRA3GLRBKDM4EMEN1CA1 | |
| SCHEMBL19665480 | 0.78 | CA12 (0.55) | GLRA3GLRBALDH1A1HSD17B10MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20170240586-A1 | Benzoic Acid Derivatives of Bile Acid as FXR/TGR5 Agonists and Methods of Use Thereof | ENANTA PHARMACEUTICALS, INC. | 2017-08-24 | — | — | US | disclosed |
| US-20170240586-A1 | Benzoic Acid Derivatives of Bile Acid as FXR/TGR5 Agonists and Methods of Use Thereof | ENANTA PHARMACEUTICALS, INC. | 2017-08-24 | — | — | US | disclosed |
| US-20100234364-A1 | CCR2 INHIBITORS AND METHODS OF USE THEREOF | CHEMOCENTRYX, INC. | 2010-09-16 | — | — | 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 (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-20100234364-A1 | CCR2 INHIBITORS AND METHODS OF USE THEREOF | CCR2, CCR9, CCR1 | KEAP1 821/4885CES2 485/4885CES1 423/4885 |
| US-20170240586-A1 | Benzoic Acid Derivatives of Bile Acid as FXR/TGR5 Agonists and Methods of Use Thereof | GPBAR1, NR1H4, SLC10A1 | KEAP1 1206/4885CES2 1057/4885CES1 110/4885 |
“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.