Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 5/20 | 0.50 |
| ▸ | LMNA | P02545 | 5/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27782813 | 0.96 | SMN1; SMN2 (0.76) | SMN1; SMN2ALDH1A1GAAHTTLMNA | |
| SCHEMBL16320691 | 0.86 | SMN1; SMN2 (0.89) | SMN1; SMN2ALDH1A1GAAHTTLMNA | |
| SCHEMBL4355850 | 0.83 | SMN1; SMN2 (0.58) | SMN1; SMN2ALDH1A1GAAHTTLMNA | |
| SCHEMBL4349349 | 0.83 | EPHX2 (0.62) | SMN1; SMN2ALDH1A1HTTLMNAL3MBTL1 | |
| SCHEMBL4356036 | 0.83 | HTT (0.60) | SMN1; SMN2ALDH1A1HTTLMNARECQL | |
| SCHEMBL27782800 | 0.79 | POLB (0.61) | SMN1; SMN2ALDH1A1HTTLMNARECQL | |
| SCHEMBL27761069 | 0.79 | HTT (0.62) | SMN1; SMN2ALDH1A1GAAHTTLMNA | |
| SCHEMBL4349397 | 0.78 | SMN1; SMN2 (0.52) | SMN1; SMN2ALDH1A1HTTLMNANPC1 | |
| SCHEMBL4355894 | 0.78 | NPC1 (0.79) | SMN1; SMN2ALDH1A1GAAHTTLMNA | |
| SCHEMBL4354051 | 0.75 | SMN1; SMN2 (0.51) | SMN1; SMN2ALDH1A1GAAHTTLMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110065760-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF | JERINI AG (DE) | 2011-03-17 | — | — | US | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| US-20070054904-A1 | Phenol derivatives and their use as rotamase inhibitors | JERINI AG (DE) | 2007-03-08 | — | — | US | claimed |
| CN-1701061-A | Novel compounds for inhibiting rotamase enzymes and uses thereof | JERINI AG (DE) | 2005-11-23 | — | — | CN | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | 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-20110065760-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF | NR1I3, NR1D1, NR1D2 | SMN1; SMN2 1791/4885ALDH1A1 2565/4885GAA 4010/4885 |
| US-20070054904-A1 | Phenol derivatives and their use as rotamase inhibitors | NR1I3, NR1D1, NR1D2 | SMN1; SMN2 3250/4885ALDH1A1 2767/4885GAA 3384/4885 |
“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.