Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | KDM6B | O15054 | 1/20 | 0.31 |
| ▸ | TET3 | O43151 | 1/20 | 0.31 |
| ▸ | KDM4A | O75164 | 1/20 | 0.31 |
| ▸ | KDM4B | O94953 | 1/20 | 0.31 |
| ▸ | KDM5A | P29375 | 1/20 | 0.31 |
| ▸ | KDM5C | P41229 | 1/20 | 0.31 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.31 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.31 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29882420 | 0.83 | ESR1 (0.34) | ESR1ESR2CCR1CYP1A2CYP3A4 | |
| SCHEMBL23609336 | 0.83 | ESR1 (0.34) | ESR1ESR2CCR1CYP1A2CYP3A4 | |
| SCHEMBL23608407 | 0.78 | CCR1 (0.31) | CCR1 | |
| SCHEMBL27020067 | 0.74 | ESR1 (0.37) | ESR1ESR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL25204480 | 0.71 | ALDH1A1 (0.43) | ESR1ESR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29818274 | 0.71 | ALDH1A1 (0.43) | ESR1ESR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL23580215 | 0.71 | ESR1 (0.38) | ESR1ESR2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL29818479 | 0.71 | ESR1 (0.35) | ESR1ESR2KDM4EKMT2ANPFFR1 | |
| SCHEMBL25742571 | 0.71 | ESR1 (0.35) | ESR1ESR2KDM4EKMT2ANPFFR1 | |
| SCHEMBL23580114 | 0.70 | GLA (0.40) | ESR1ESR2KMT2ASMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240018157-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRÖDINGER, INC. | 2024-01-18 | — | — | 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 (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-20240018157-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | MALT1, FKBP1B, FKBP1A | ESR1 4729/4885ESR2 4315/4885CCR1 220/4885 |
“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.