Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 9/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | BCL6 | P41182 | 1/20 | 0.42 |
| ▸ | BCOR | Q6W2J9 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6670113 | 0.94 | ALDH1A1 (0.51) | ALDH1A1PTPN7MAPTKDM4EHTT | |
| SCHEMBL27782790 | 0.82 | EPHX1 (0.50) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL4358300 | 0.81 | ALDH1A1 (0.52) | ALDH1A1PTPN7MAPTKDM4EMEN1 | |
| SCHEMBL4354492 | 0.81 | EPHX1 (0.55) | ALDH1A1MAPTMEN1KMT2ALMNA | |
| SCHEMBL4359582 | 0.81 | ALDH1A1 (0.52) | ALDH1A1PTPN7MAPTKDM4EMEN1 | |
| SCHEMBL8601321 | 0.80 | EPHX1 (0.57) | ALDH1A1MAPTHTTSLC6A3 | |
| SCHEMBL8598927 | 0.80 | EPHX1 (0.57) | ALDH1A1MAPTHTTSLC6A3 | |
| SCHEMBL8194387 | 0.77 | MAPT (0.58) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL4351840 | 0.75 | CA2 (0.59) | ALDH1A1MAPTMEN1KMT2ALMNA | |
| SCHEMBL6966529 | 0.75 | MAPT (0.53) | ALDH1A1MAPTKDM4EMEN1KMT2A |
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 |