Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 10/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.46 |
| ▸ | ESRRB | O95718 | 2/20 | 0.46 |
| ▸ | ESRRG | P62508 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | PLD2 | O14939 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16787738 | 0.85 | CHRNB2 (0.48) | CHRNB2CHRNA4 | |
| SCHEMBL29743817 | 0.85 | LTA4H (0.57) | CHRNB2CHRNA4KDM4EALDH1A1 | |
| SCHEMBL20641513 | 0.85 | LTA4H (0.57) | CHRNB2CHRNA4KDM4EALDH1A1 | |
| SCHEMBL11947325 | 0.83 | KDM4E (0.47) | CHRNB2CHRNA4KDM4E | |
| SCHEMBL2474348 | 0.82 | ESR1 (0.50) | ESR1CHRNB2CHRNA4ESR2ESRRB | |
| SCHEMBL2477011 | 0.81 | ESR1 (0.65) | ESR1CHRNB2CHRNA4ESR2ESRRB | |
| SCHEMBL8719480 | 0.79 | NR5A1 (0.66) | KDM4EALDH1A1MAPT | |
| SCHEMBL20653365 | 0.75 | CHRNB2 (0.56) | ESR1CHRNB2CHRNA4ESR2ESRRG | |
| SCHEMBL29743819 | 0.75 | CHRNB2 (0.56) | ESR1CHRNB2CHRNA4ESR2ESRRG | |
| SCHEMBL7880350 | 0.73 | ALDH2 (0.47) | ESR1KDM4EALDH1A1MAPT |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2373163-B1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | GENENTECH INC (US) | 2015-06-10 | — | — | EP | disclosed |
| EP-2373163-B1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | GENENTECH INC (US) | 2015-06-10 | — | — | EP | disclosed |
| US-8232273-B2 | Heterocyclic compounds and methods of use | GENENTECH, INC. (US) | 2012-07-31 | — | — | US | disclosed |
| US-8232273-B2 | Heterocyclic compounds and methods of use | GENENTECH, INC. (US) | 2012-07-31 | — | — | US | disclosed |
| US-8232273-B2 | Heterocyclic compounds and methods of use | GENENTECH, INC. (US) | 2012-07-31 | — | — | US | disclosed |
| EP-2373163-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | Genentech, Inc. (US) | 2011-10-12 | — | — | EP | disclosed |
| US-20100210622-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | ABBVIE INC. | 2010-08-19 | — | — | US | disclosed |
| US-20100210622-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | ABBVIE INC. | 2010-08-19 | — | — | US | disclosed |
| US-20100210622-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | ABBVIE INC. | 2010-08-19 | — | — | US | disclosed |
| WO-2010080503-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2010-07-15 | — | — | 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 (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-20100210622-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | BCL2A1, BAX, BCL2 | ESR1 415/4885CHRNB2 2616/4885CHRNA4 3076/4885 |
“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.