Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 5/20 | 0.62 |
| ▸ | ESR1 | P03372 | 4/20 | 0.62 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.56 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.56 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.56 |
| ▸ | NOS2 | P35228 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7168183 | 0.86 | NOS2 (0.53) | ESR2ESR1NOS2ADORA2AADORA3 | |
| SCHEMBL2309144 | 0.85 | MAPK1 (0.61) | ESR2ESR1NOS2HTTMAPK1 | |
| Hydrochloric Acid SCHEMBL7167676 | 0.84 | NOS2 (0.52) | ESR2ESR1NOS2ADORA2AADORA3 | |
| SCHEMBL5945572 | 0.83 | ESR1 (0.54) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL7294918 | 0.83 | NOS2 (0.50) | ESR2ESR1NOS2HTTMAPK1 | |
| SCHEMBL15214855 | 0.83 | L3MBTL1 (0.56) | ESR2ESR1NOS2ADORA2AADORA3 | |
| SCHEMBL9995179 | 0.83 | NPC1 (0.52) | ESR2ESR1NOS2ADORA2AHTT | |
| SCHEMBL17602705 | 0.82 | NOS2 (0.46) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL16826857 | 0.79 | NOD1 (0.57) | NOS2ADORA2AHTTMAPK1CYP1A2 | |
| SCHEMBL10176264 | 0.79 | ADORA2A (0.49) | ESR2ESR1NOS2ADORA2AHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2373163-B1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | GENENTECH INC (US) | 2015-06-10 | — | — | EP | disclosed |
| CN-102316733-B | Heterocyclic compounds and methods of use | GENENTECH INC | 2014-01-01 | — | — | CN | disclosed |
| US-8232273-B2 | Heterocyclic compounds and methods of use | GENENTECH, INC. (US) | 2012-07-31 | — | — | US | disclosed |
| CN-102316733-A | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | INST MEDICAL W & E HALL | 2012-01-11 | — | — | CN | 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 |
| 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 | ESR2 260/4885ESR1 415/4885GRIA1 3113/4885 |
“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.