Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 2/20 | 0.56 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.55 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.55 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.55 |
| ▸ | ABL1 | P00519 | 1/20 | 0.54 |
| ▸ | BRD4 | O60885 | 1/20 | 0.47 |
| ▸ | PRKCI | P41743 | 1/20 | 0.44 |
| ▸ | HASPIN | Q8TF76 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 7/20 | 0.40 |
| ▸ | PRKCG | P05129 | 2/20 | 0.40 |
| ▸ | CDK1 | P06493 | 2/20 | 0.40 |
| ▸ | PRKACA | P17612 | 2/20 | 0.40 |
| ▸ | PRKACG | P22612 | 2/20 | 0.40 |
| ▸ | PRKACB | P22694 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27143869 | 0.77 | QPCT (0.51) | TDO2ABL1BRD4CYP1A2CYP3A4 | |
| SCHEMBL29960424 | 0.77 | QPCT (0.51) | TDO2ABL1BRD4CYP1A2CYP3A4 | |
| SCHEMBL903206 | 0.73 | BRD4 (0.52) | ABL1BRD4HASPINMAPK1QPCT | |
| SCHEMBL29208983 | 0.73 | BRD4 (0.56) | ABL1BRD4QPCTQPCTL | |
| SCHEMBL31501287 | 0.72 | BRD4 (0.49) | TDO2ABL1BRD4CYP3A4CYP2D6 | |
| SCHEMBL20878376 | 0.72 | BRD4 (0.56) | ABL1BRD4 | |
| SCHEMBL903194 | 0.71 | CYP17A1 (0.50) | TDO2BRD4CYP1A2 | |
| SCHEMBL27151824 | 0.71 | PARP1 (0.42) | PIK3CDABL1BRD4CYP1A2CYP3A4 | |
| SCHEMBL900109 | 0.71 | CYP17A1 (0.48) | ABL1BRD4PRKACAPIM1QPCT | |
| SCHEMBL29477064 | 0.71 | DPP4 (0.57) | ABL1BRD4CYP3A4AKT3CLK4 |
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-20200054623-A1 | Chemokine CXCR4 Receptor Modulators and Uses Related Thereto | EMORY UNIVERSITY | 2020-02-20 | — | — | 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-20200054623-A1 | Chemokine CXCR4 Receptor Modulators and Uses Related Thereto | CXCR4, CXCL12, CXCR1 | TDO2 4308/4885PIK3CD 519/4885PIK3CB 587/4885 |
“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.