Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.36 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | RXRB | P28702 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1004593 | 0.87 | RXRA (0.44) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL1004158 | 0.82 | CES2 (0.54) | CES2CES1BRD9ALDH1A1HPGD | |
| SCHEMBL15108898 | 0.82 | GYS1 (0.39) | CACNA1HALDH1A1HPGDRXRARXRB | |
| SCHEMBL20988826 | 0.79 | HCAR1 (0.53) | CES2CES1CACNA1HALDH1A1RXRA | |
| SCHEMBL9970966 | 0.78 | PARP1 (0.46) | CES2CES1CACNA1HALDH1A1RXRA | |
| SCHEMBL15108892 | 0.78 | CA12 (0.45) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL24526748 | 0.76 | CA12 (0.47) | ALDH1A1POLBGAACYP4F2CYP4A11 | |
| SCHEMBL12846684 | 0.76 | CES2 (0.41) | CES2CES1BRD9ALDH1A1HPGD | |
| SCHEMBL21323589 | 0.75 | PLK1 (0.55) | CES2CES1CACNA1HALDH1A1BRD4 | |
| SCHEMBL24526854 | 0.75 | CA12 (0.55) | ALDH1A1SMN1; SMN2POLBCYP4F2CYP4A11 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10183009-B2 | Therapeutic compounds and uses thereof | GENENTECH, INC. (US) | 2019-01-22 | — | — | US | disclosed |
| US-20170340605-A1 | THERAPEUTIC COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2017-11-30 | — | — | 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 (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-10183009-B2 | Therapeutic compounds and uses thereof | BRD4, BRDT, BRPF3 | CES2 542/4885CES1 1436/4885PDK1 1669/4885 |
| US-20170340605-A1 | THERAPEUTIC COMPOUNDS AND USES THEREOF | BRD4, BRDT, BRPF3 | CES2 542/4885CES1 1436/4885PDK1 1669/4885 |
“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.