Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | TCF4 | P15884 | 3/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL12142624 | 0.91 | CRHR1 (0.36) | SMN1; SMN2TCF4CTNNB1HPGDKMT2A | |
| SCHEMBL10150593 | 0.91 | CRHR1 (0.36) | SMN1; SMN2TCF4CTNNB1HPGDKMT2A | |
| SCHEMBL10150432 | 0.91 | CRHR1 (0.36) | SMN1; SMN2TCF4CTNNB1HPGDKMT2A | |
| SCHEMBL10150452 | 0.89 | CYP3A4 (0.54) | CYP3A4SMN1; SMN2TDP1ACHETCF4 | |
| SCHEMBL10187434 | 0.81 | CYP3A4 (0.43) | CYP3A4SMN1; SMN2TDP1GLO1ACHE | |
| SCHEMBL10150445 | 0.80 | ALDH1A1 (0.35) | CYP3A4SMN1; SMN2TDP1ACHETCF4 | |
| SCHEMBL10150453 | 0.80 | MAPT (0.33) | ACHETCF4CTNNB1HPGDALDH1A1 | |
| SCHEMBL10150454 | 0.78 | HSP90AA1 (0.33) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10150587 | 0.77 | CRHR1 (0.35) | SMN1; SMN2HPGDKMT2AMEN1ALDH1A1 | |
| SCHEMBL10150429 | 0.77 | CRHR1 (0.31) | CRHR1 |
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-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 |
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-20120077775-A1 | MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 | HSP90AB1, HSP90AA1, HSP90AB2P | CYP3A4 3686/4885SMN1; SMN2 3908/4885TDP1 2936/4885 |
“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.