Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6589801 | 0.83 | CYP3A4 (0.49) | SMN1; SMN2ALDH1A1CYP3A4TDP1CRHR1 | |
| SCHEMBL10150640 | 0.81 | KDM4E (0.30) | CRHR1 | |
| SCHEMBL10150614 | 0.80 | CYP3A4 (0.35) | SMN1; SMN2ALDH1A1CYP3A4TDP1USP2 | |
| SCHEMBL571273 | 0.76 | CYP3A4 (0.61) | SMN1; SMN2ALDH1A1CYP3A4TDP1USP2 | |
| SCHEMBL8490613 | 0.76 | ESR1 (0.58) | SMN1; SMN2ALDH1A1CYP3A4TDP1NR1H2 | |
| SCHEMBL18675980 | 0.75 | ESR1 (0.43) | SMN1; SMN2ALDH1A1CYP3A4TDP1ELANE | |
| SCHEMBL13758161 | 0.75 | TRPV1 (0.49) | SMN1; SMN2ALDH1A1CYP3A4TDP1NR1H2 | |
| SCHEMBL13554411 | 0.74 | L3MBTL1 (0.40) | ALDH1A1TDP1HPGD | |
| SCHEMBL125935 | 0.73 | CYP3A4 (0.41) | SMN1; SMN2ALDH1A1CYP3A4TDP1HPGD | |
| SCHEMBL25476221 | 0.73 | SMN1; SMN2 (0.39) | SMN1; SMN2ALDH1A1CYP3A4TDP1USP2 |
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 3 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-20120077775-A1 | MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 | LE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2012-03-29 | — | — | US | disclosed |
| US-20100292218-A1 | Treatment Of Neurofibromatosis With Radicicol And Its Derivatives | NEXGENIX PHARMACEUTICALS HOLDINGS, INC. | 2010-11-18 | — | — | 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 (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-20120077775-A1 | MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 | HSP90AB1, HSP90AA1, HSP90AB2P | SMN1; SMN2 3908/4885ALDH1A1 3243/4885CYP3A4 3686/4885 |
| US-20100292218-A1 | Treatment Of Neurofibromatosis With Radicicol And Its Derivatives | HSP90AB2P, HSP90AA1, HSPA2 | SMN1; SMN2 919/4885ALDH1A1 1005/4885CYP3A4 4410/4885 |
“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.