Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.66 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.66 |
| ▸ | MAOB | P27338 | 2/20 | 0.66 |
| ▸ | MAOA | P21397 | 1/20 | 0.66 |
| ▸ | HPGD | P15428 | 4/20 | 0.65 |
| ▸ | LMNA | P02545 | 3/20 | 0.65 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.65 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | MYC | P01106 | 1/20 | 0.59 |
| ▸ | MAX | P61244 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL26485863 | 0.87 | MAPT (0.64) | MAPTNPSR1MAOBMAOAHPGD | |
| SCHEMBL4342192 | 0.86 | MAPT (0.53) | MAPTNPSR1MAOBMAOAHPGD | |
| SCHEMBL4349794 | 0.85 | MAPT (0.67) | MAPTNPSR1MAOBMAOAHPGD | |
| SCHEMBL4346975 | 0.85 | RAB9A (0.68) | MAPTMAOBMAOALMNAPLA2G1B | |
| SCHEMBL9529477 | 0.84 | MAOB (0.78) | MAPTNPSR1MAOBMAOAHPGD | |
| SCHEMBL8615717 | 0.84 | MAOB (0.78) | MAPTNPSR1MAOBMAOAHPGD | |
| SCHEMBL4357497 | 0.82 | MEN1 (0.61) | MAPTNPSR1MAOBMAOAHPGD | |
| SCHEMBL4345433 | 0.82 | MAOB (0.66) | MAPTNPSR1MAOBMAOAHPGD | |
| SCHEMBL4350061 | 0.82 | MTOR (0.55) | MAPTMAOBHPGDMEN1KMT2A | |
| SCHEMBL4345336 | 0.82 | MAOB (0.66) | MAPTNPSR1MAOBMAOAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| 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-1402887-A1 | New compounds for the inhibition of undesired cell proliferation and use thereof | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-1402888-A1 | The use of substituted carbocyclic compounds as rotamases inhibitors | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |