Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.69 |
| ▸ | RAB9A | P51151 | 7/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.69 |
| ▸ | LMNA | P02545 | 5/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.56 |
| ▸ | HTT | P42858 | 5/20 | 0.56 |
| ▸ | MEN1 | O00255 | 5/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | MAOA | P21397 | 2/20 | 0.54 |
| ▸ | MAOB | P27338 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | CDK9 | P50750 | 1/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.48 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4348975 | 0.88 | NPC1 (0.55) | NPC1RAB9ASMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL4341574 | 0.86 | KMT2A (0.53) | NPC1RAB9ASMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL5594969 | 0.85 | HTT (0.65) | NPC1RAB9ASMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL4341436 | 0.85 | SMN1; SMN2 (0.68) | NPC1RAB9ASMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL4343284 | 0.83 | EPHX2 (0.58) | NPC1RAB9ASMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL4344425 | 0.83 | DDX3X (0.52) | NPC1RAB9ASMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL4347677 | 0.82 | MAPT (0.50) | NPC1RAB9ASMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL4348536 | 0.82 | LMNA (0.69) | NPC1RAB9ASMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL4349258 | 0.82 | RAB9A (0.62) | NPC1RAB9ASMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL21834398 | 0.82 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2LMNAALDH1A1 |
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-20110065760-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF | JERINI AG (DE) | 2011-03-17 | — | — | US | claimed |
| CN-100546977-C | Suppress the new compound and the application thereof of rotamase | JERINI AG (DE) | 2009-10-07 | — | — | CN | 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 | NPC1 815/4885RAB9A 4228/4885SMN1; SMN2 1791/4885 |
| US-20070054904-A1 | Phenol derivatives and their use as rotamase inhibitors | NR1I3, NR1D1, NR1D2 | NPC1 1189/4885RAB9A 4588/4885SMN1; SMN2 3250/4885 |
“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.