Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.42 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | CCR8 | P51685 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12519924 | 0.88 | ESR1 (0.47) | ESR1ESR2CCR1CCR5CCR8 | |
| SCHEMBL26673673 | 0.86 | NR1I2 (0.40) | ESR1ESR2CCR1CCR5CCR8 | |
| SCHEMBL25015841 | 0.83 | KDM4E (0.37) | ESR1ESR2CCR1CCR5CCR8 | |
| SCHEMBL22215350 | 0.80 | ESR1 (0.41) | ESR1ESR2KDM4EMAPTALDH1A1 | |
| SCHEMBL20376066 | 0.80 | MAPK1 (0.43) | ESR1ESR2MAPTALDH1A1ADRA2A | |
| SCHEMBL18948514 | 0.80 | ESR1 (0.41) | ESR1ESR2HDAC6ALDH1A1HPGD | |
| SCHEMBL17828000 | 0.79 | CCR1 (0.40) | ESR1ESR2CCR1CCR5CCR8 | |
| SCHEMBL18948444 | 0.79 | KDM4E (0.39) | ESR1ESR2CCR1CCR5CCR8 | |
| SCHEMBL20098173 | 0.77 | ESR1 (0.40) | ESR1ESR2KDM4EALDH1A1RAB9A | |
| SCHEMBL20372945 | 0.77 | ESR1 (0.40) | ESR1ESR2MAPTALDH1A1S1PR2 |
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-20230364097-A1 | TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS | INFINITY PHARMACEUTICALS, INC. (US) | 2023-11-16 | — | — | US | disclosed |
| US-20170360795-A1 | TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS | INFINITY PHARMACEUTICALS, INC. (US) | 2017-12-21 | — | — | US | disclosed |
| EP-2938344-B1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | 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-20170360795-A1 | TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS | PIK3CA, MCL1, PIK3CB | ESR1 2071/4885ESR2 2260/4885CCR1 2706/4885 |
| US-20230364097-A1 | TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS | PIK3CA, MCL1, PIK3CB | ESR1 2071/4885ESR2 2260/4885CCR1 2706/4885 |
“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.