Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 5/20 | 0.77 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.77 |
| ▸ | RAB9A | P51151 | 4/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | ATP1A1 | P05023 | 5/20 | 0.51 |
| ▸ | ATP1B1 | P05026 | 5/20 | 0.51 |
| ▸ | ATP1A2 | P50993 | 5/20 | 0.51 |
| ▸ | PAX8 | Q06710 | 3/20 | 0.51 |
| ▸ | ATP1A3 | P13637 | 3/20 | 0.51 |
| ▸ | ATP1B2 | P14415 | 3/20 | 0.51 |
| ▸ | ATP1B3 | P54709 | 3/20 | 0.51 |
| ▸ | FXYD2 | P54710 | 3/20 | 0.51 |
| ▸ | ATP1A4 | Q13733 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | ATP12A | P54707 | 1/20 | 0.51 |
| ▸ | NOTCH1 | P46531 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15526997 | 1.00 | TP53 (0.77) | TP53SMN1; SMN2RAB9ACYP2C19NPC1 | |
| SCHEMBL15527657 | 1.00 | TP53 (0.77) | TP53SMN1; SMN2RAB9ACYP2C19NPC1 | |
| SCHEMBL21833930 | 1.00 | TP53 (0.77) | TP53SMN1; SMN2RAB9ACYP2C19NPC1 | |
| SCHEMBL15527660 | 1.00 | TP53 (0.77) | TP53SMN1; SMN2RAB9ACYP2C19NPC1 | |
| SCHEMBL17505609 | 0.94 | TP53 (0.71) | TP53SMN1; SMN2RAB9ACYP2C19NPC1 | |
| SCHEMBL17505608 | 0.94 | TP53 (0.71) | TP53SMN1; SMN2RAB9ACYP2C19NPC1 | |
| SCHEMBL17505449 | 0.94 | TP53 (0.75) | TP53SMN1; SMN2RAB9ACYP2C19NPC1 | |
| SCHEMBL21833880 | 0.94 | TP53 (0.75) | TP53SMN1; SMN2RAB9ACYP2C19NPC1 | |
| SCHEMBL17505450 | 0.94 | TP53 (0.75) | TP53SMN1; SMN2RAB9ACYP2C19NPC1 | |
| SCHEMBL17505661 | 0.94 | TP53 (0.75) | TP53SMN1; SMN2RAB9ACYP2C19NPC1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9676813-B2 | Certain steroids and methods for using the same in the treatment of cancer | NEUPHARMA, INC. (US) | 2017-06-13 | — | — | US | claimed |
| US-20160039865-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. (US) | 2016-02-11 | — | — | US | claimed |
| US-11325940-B2 | Certain chemical entities, compositions, and methods | NEUPHARMA, INC. (US) | 2022-05-10 | — | — | US | disclosed |
| US-20200102344-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. | 2020-04-02 | — | — | US | disclosed |
| EP-3453713-A1 | BUFADIENOLIDE COMPOUNDS SUBSTITUTED IN POSITION 3 BY AN AMINE GROUP FOR USE IN THE TREATMENT OF CANCER | Neupharma, Inc. (US) | 2019-03-13 | — | — | EP | disclosed |
| US-20170362271-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. | 2017-12-21 | — | — | US | disclosed |
| US-9676813-B2 | Certain steroids and methods for using the same in the treatment of cancer | NEUPHARMA, INC. (US) | 2017-06-13 | — | — | US | disclosed |
| US-20160039865-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. (US) | 2016-02-11 | — | — | 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 (4 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-20160039865-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | TP53, VHL, SGMS2 | TP53 1/4885SMN1; SMN2 3577/4885RAB9A 2171/4885 |
| US-11325940-B2 | Certain chemical entities, compositions, and methods | TP53, VHL, SGMS2 | TP53 1/4885SMN1; SMN2 3577/4885RAB9A 2171/4885 |
| US-20170362271-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | TP53, VHL, SGMS2 | TP53 1/4885SMN1; SMN2 3577/4885RAB9A 2171/4885 |
| US-20200102344-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | TP53, VHL, SGMS2 | TP53 1/4885SMN1; SMN2 3577/4885RAB9A 2171/4885 |
“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.