Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 14/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL6444828 | 0.95 | ACHE (0.47) | ACHENPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL6450601 | 0.88 | NPC1 (0.43) | ACHENPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL6446773 | 0.84 | ZDHHC20 (0.32) | — | |
| SCHEMBL6443215 | 0.84 | NPC1 (0.49) | ACHENPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL6445034 | 0.83 | — | — | |
| SCHEMBL6446718 | 0.83 | CTSS (0.32) | EPHX1 | |
| SCHEMBL6442039 | 0.82 | SMN1; SMN2 (0.36) | SMN1; SMN2LMNA | |
| SCHEMBL6443436 | 0.81 | ACHE (0.40) | ACHENPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL6019188 | 0.79 | CTSS (0.42) | ACHE | |
| SCHEMBL6447225 | 0.78 | CTSS (0.44) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1575903-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | Jerini AG (DE) | 2005-09-21 | — | — | EP | claimed |
| WO-2004065353-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | JERINI AG (DE) | 2004-08-05 | — | — | WO | claimed |
| EP-1575903-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | Jerini AG (DE) | 2005-09-21 | — | — | EP | disclosed |
| WO-2004065353-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | JERINI AG (DE) | 2004-08-05 | — | — | WO | disclosed |