Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | MAOB | P27338 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.53 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | MYC | P01106 | 1/20 | 0.49 |
| ▸ | MAX | P61244 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4350105 | 0.88 | MAPT (0.55) | MAPTHPGDMAOBLMNAPLA2G1B | |
| SCHEMBL6226369 | 0.87 | LMNA (0.48) | MAPTNPSR1HPGDMAOBLMNA | |
| SCHEMBL4355796 | 0.86 | MAPT (0.66) | MAPTNPSR1HPGDMAOBLMNA | |
| SCHEMBL4354905 | 0.85 | MAPT (0.51) | MAPTNPSR1HPGDMAOBLMNA | |
| SCHEMBL4345459 | 0.85 | MEN1 (0.46) | MAPTNPSR1HPGDLMNASMN1; SMN2 | |
| SCHEMBL4354098 | 0.85 | ALDH1A1 (0.47) | MAPTHPGDMAOBLMNASMN1; SMN2 | |
| SCHEMBL4351070 | 0.81 | SMN1; SMN2 (0.56) | MAPTNPSR1HPGDMAOBLMNA | |
| SCHEMBL26485863 | 0.79 | MAPT (0.64) | MAPTNPSR1HPGDMAOBLMNA | |
| SCHEMBL4351932 | 0.79 | KDM4E (0.41) | MAPTNPSR1HPGDMAOBLMNA | |
| SCHEMBL27782816 | 0.78 | SMN1; SMN2 (0.52) | MAPTNPSR1HPGDLMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |