Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 1/20 | 0.33 |
| ▸ | TOP1 | P11387 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SOAT2 | O75908 | 1/20 | 0.31 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.31 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.30 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12422651 | 0.94 | ACLY (0.33) | ACLYTOP1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13192499 | 0.93 | ACLY (0.36) | ACLYTOP1SOAT2SOAT1TBXAS1 | |
| SCHEMBL13192983 | 0.88 | ACLY (0.38) | ACLYSOAT2SOAT1TBXAS1EPHX2 | |
| SCHEMBL13193020 | 0.88 | ACLY (0.38) | ACLYSOAT2SOAT1TBXAS1EPHX2 | |
| SCHEMBL13192559 | 0.88 | ACLY (0.38) | ACLYSOAT2SOAT1TBXAS1EPHX2 | |
| SCHEMBL15686629 | 0.88 | ACLY (0.38) | ACLYSOAT2SOAT1TBXAS1EPHX2 | |
| SCHEMBL13192948 | 0.88 | ACLY (0.38) | ACLYSOAT2SOAT1TBXAS1EPHX2 | |
| SCHEMBL13778534 | 0.87 | ACLY (0.36) | ACLYSOAT2SOAT1TBXAS1 | |
| SCHEMBL17787829 | 0.85 | ACLY (0.35) | ACLYTOP1SOAT2SOAT1TBXAS1 | |
| SCHEMBL13375284 | 0.84 | CYP1A2 (0.32) | ACLYTOP1CYP1A2CYP3A4CYP2D6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8450305-B2 | Macrocyclic compounds useful as inhibitors of kinases and HSP90 | UNIVERSITE DE STRASBOURG (FR) | 2013-05-28 | — | — | US | disclosed |
| US-20110190237-A1 | Macrocyclic Prodrug Compounds Useful as Therapeutics | NEXGENIX PHARMACEUTICALS (US) | 2011-08-04 | — | — | US | disclosed |
| US-20100292218-A1 | Treatment Of Neurofibromatosis With Radicicol And Its Derivatives | NEXGENIX PHARMACEUTICALS HOLDINGS, INC. | 2010-11-18 | — | — | US | disclosed |
| WO-2008150302-A1 | TREATMENT OF NEUROFIBROMATOSIS WITH RADICICOL AND ITS DERIVATIVES | NEXGENIX PHARMACEUTICALS (US) | 2008-12-11 | — | — | WO | disclosed |
| US-20080146545-A1 | Macrocyclic compounds useful as inhibitors of kinases and HSP90 | UNIVERSITE DE STRASBOURG (FR) | 2008-06-19 | — | — | US | disclosed |
| WO-2008021213-A1 | MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 | WINSSINGER NICOLAS (FR) | 2008-02-21 | — | — | WO | 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 (3 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-20100292218-A1 | Treatment Of Neurofibromatosis With Radicicol And Its Derivatives | HSP90AB2P, HSP90AA1, HSPA2 | ACLY 1873/4885TOP1 909/4885CYP1A2 1480/4885 |
| US-20080146545-A1 | Macrocyclic compounds useful as inhibitors of kinases and HSP90 | HSP90AB1, HSP90AA1, HSP90AB2P | ACLY 403/4885TOP1 986/4885CYP1A2 3221/4885 |
| US-20110190237-A1 | Macrocyclic Prodrug Compounds Useful as Therapeutics | ADCYAP1R1, CYP19A1, THOP1 | ACLY 2837/4885TOP1 1446/4885CYP1A2 357/4885 |
“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.