Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | XBP1 | P17861 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4355430 | 0.89 | CNR1 (0.47) | MAOBALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL4351932 | 0.88 | KDM4E (0.41) | IDO1MAOBALDH1A1MAPTMEN1 | |
| SCHEMBL4354098 | 0.86 | ALDH1A1 (0.47) | MAOBALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL4350857 | 0.84 | ALDH1A1 (0.47) | IDO1MAOBALDH1A1MAPTMEN1 | |
| SCHEMBL4349891 | 0.83 | HTT (0.41) | MAOBALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL4342470 | 0.82 | IDO1 (0.60) | IDO1MAOBALDH1A1MAPTMEN1 | |
| SCHEMBL4348451 | 0.80 | PDE2A (0.48) | MAOBALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL27782816 | 0.79 | SMN1; SMN2 (0.52) | ALDH1A1MAPTMEN1KMT2AHPGD | |
| SCHEMBL4343912 | 0.78 | HTT (0.47) | MAOBALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL4347616 | 0.78 | SMN1; SMN2 (0.57) | ALDH1A1MAPTMEN1KMT2AHPGD |
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 3 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-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |