Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | TTR | P02766 | 3/20 | 0.39 |
| ▸ | SHBG | P04278 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.36 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10020195 | 0.92 | ESR1 (0.48) | ESR1TTRCHEK1DAPK3RET | |
| SCHEMBL9248538 | 0.87 | ESR1 (0.48) | ESR1SHBGESR2CYP1A2CYP2C9 | |
| SCHEMBL20437119 | 0.79 | ESR1 (0.38) | ESR1 | |
| SCHEMBL26262146 | 0.77 | SHBG (0.50) | ESR1TTRSHBGESR2MEN1 | |
| SCHEMBL13474000 | 0.77 | PTGS1 (0.44) | ESR1TTRSHBGESR2HMGB1 | |
| Hydrochloric Acid SCHEMBL11680474 | 0.77 | ESR1 (0.36) | ESR1TTRCHEK1DAPK3RET | |
| SCHEMBL10595882 | 0.75 | TTR (0.42) | ESR1TTRSHBGESR2ALDH1A1 | |
| SCHEMBL8585296 | 0.72 | SLC6A2 (0.46) | ESR1SHBGESR2CYP1A2CYP2C9 | |
| SCHEMBL14255775 | 0.72 | SIRT5 (0.41) | TTRSHBGCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6349366 | 0.72 | ESR1 (0.50) | ESR1CYP1A2CYP2C9CYP2C19MEN1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10882871-B2 | 18/19F-labelled compounds which target the prostate specific membrane antigen | BRITISH COLUMBIA CANCER AGENCY BRANCH | 2021-01-05 | — | — | US | disclosed |
| US-10040751-B2 | Intermediates for macrocyclic compounds | OCERA THERAPEUTICS, INC. (US) | 2018-08-07 | — | — | US | disclosed |
| US-10040751-B2 | Intermediates for macrocyclic compounds | OCERA THERAPEUTICS, INC. (US) | 2018-08-07 | — | — | US | disclosed |
| US-20160221927-A1 | INTERMEDIATES FOR MACROCYCLIC COMPOUNDS | OCERA THERAPEUTICS LLC | 2016-08-04 | — | — | US | disclosed |
| US-20160221927-A1 | INTERMEDIATES FOR MACROCYCLIC COMPOUNDS | OCERA THERAPEUTICS LLC | 2016-08-04 | — | — | US | disclosed |
| US-8129561-B2 | Processes for intermediates for macrocyclic compounds | TRANZYME PHARMA INC. (CA) | 2012-03-06 | — | — | US | disclosed |
| US-20090137835-A1 | PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS | TRANZYME PHARMA INC. | 2009-05-28 | — | — | 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 (4 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-10040751-B2 | Intermediates for macrocyclic compounds | MLNR, CCKAR, CHRM2 | ESR1 1929/4885TTR 2135/4885SHBG 3773/4885 |
| US-20090137835-A1 | PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS | MLNR, CHRM2, CHRM1 | ESR1 2200/4885TTR 2412/4885SHBG 4072/4885 |
| US-10882871-B2 | 18/19F-labelled compounds which target the prostate specific membrane antigen | KLK3, FOLH1, FOLR1 | ESR1 402/4885TTR 4157/4885SHBG 32/4885 |
| US-20160221927-A1 | INTERMEDIATES FOR MACROCYCLIC COMPOUNDS | MLNR, CCKAR, CHRM2 | ESR1 1929/4885TTR 2135/4885SHBG 3773/4885 |
“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.