Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TCF4 | P15884 | 3/20 | 0.32 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10150454 | 0.91 | HSP90AA1 (0.33) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10150596 | 0.90 | L3MBTL1 (0.33) | ALDH1A1GAAMAPTL3MBTL1HPGD | |
| SCHEMBL10150441 | 0.90 | L3MBTL1 (0.33) | ALDH1A1GAAMAPTL3MBTL1HPGD | |
| SCHEMBL10150438 | 0.90 | L3MBTL1 (0.33) | ALDH1A1GAAMAPTL3MBTL1HPGD | |
| SCHEMBL10150525 | 0.81 | CA12 (0.39) | ALDH1A1GAAMAPTCYP3A4SMN1; SMN2 | |
| SCHEMBL10150452 | 0.80 | CYP3A4 (0.54) | ALDH1A1MAPTCYP3A4SMN1; SMN2TDP1 | |
| SCHEMBL10150434 | 0.80 | CYP3A4 (0.40) | ALDH1A1THRATHRBCYP3A4SMN1; SMN2 | |
| SCHEMBL14293726 | 0.79 | HSP90AA1 (0.32) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10150613 | 0.77 | L3MBTL1 (0.32) | L3MBTL1 | |
| SCHEMBL10150453 | 0.77 | MAPT (0.33) | ALDH1A1GAAMAPTTHRATHRB |
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-8329683-B2 | Treatment of neurofibromatosis with radicicol and its derivatives | NEXGENIX PHARMACEUTICALS, LLC (US) | 2012-12-11 | — | — | 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-8067412-B2 | analogs of natural products radicicol and pochonins; (oxirane or cyclopropan) 2-benzoxacyclo(di)tetradecin derivatives; inhibition of kinase phosphorylation activity and heat shock proteins; anticarcinogenic, antiinflammatory agent; neurodegenerative diseases; antiallergen | UNIVERSITE DE STRASBOURG (FR) | 2011-11-29 | — | — | US | disclosed |
| US-20100292218-A1 | Treatment Of Neurofibromatosis With Radicicol And Its Derivatives | NEXGENIX PHARMACEUTICALS HOLDINGS, INC. | 2010-11-18 | — | — | US | disclosed |
| US-20080146545-A1 | Macrocyclic compounds useful as inhibitors of kinases and HSP90 | UNIVERSITE DE STRASBOURG (FR) | 2008-06-19 | — | — | 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 (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-20120077775-A1 | MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 | HSP90AB1, HSP90AA1, HSP90AB2P | ALDH1A1 3243/4885GAA 950/4885MAPT 1982/4885 |
| US-20100292218-A1 | Treatment Of Neurofibromatosis With Radicicol And Its Derivatives | HSP90AB2P, HSP90AA1, HSPA2 | ALDH1A1 1005/4885GAA 1079/4885MAPT 2339/4885 |
| US-20080146545-A1 | Macrocyclic compounds useful as inhibitors of kinases and HSP90 | HSP90AB1, HSP90AA1, HSP90AB2P | ALDH1A1 3243/4885GAA 950/4885MAPT 1982/4885 |
“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.