Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.52 |
| ▸ | HPGD | P15428 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 3/20 | 0.52 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | RORC | P51449 | 1/20 | 0.44 |
| ▸ | CASR | P41180 | 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 | |
|---|---|---|---|---|
| SCHEMBL4345924 | 0.86 | ALDH1A1 (0.52) | ALDH1A1MAPTHSD17B10HPGDKDM4E | |
| SCHEMBL6229381 | 0.85 | ALDH1A1 (0.54) | ALDH1A1MAPTHSD17B10HPGDKDM4E | |
| SCHEMBL4359582 | 0.85 | ALDH1A1 (0.52) | ALDH1A1MAPTHSD17B10HPGDKDM4E | |
| SCHEMBL4346283 | 0.81 | ALDH1A1 (0.49) | ALDH1A1MAPTHSD17B10HPGDKDM4E | |
| SCHEMBL15741795 | 0.81 | ALDH1A1 (0.66) | ALDH1A1HSD17B10HPGDLMNAMAPK1 | |
| SCHEMBL27761103 | 0.80 | EPHX2 (0.67) | ALDH1A1MAPTHTTEPHX2MEN1 | |
| SCHEMBL4349661 | 0.80 | MEN1 (0.67) | ALDH1A1MAPTHSD17B10HPGDKDM4E | |
| SCHEMBL4348602 | 0.79 | EPHX2 (0.74) | ALDH1A1MAPTHTTEPHX2MEN1 | |
| SCHEMBL6230978 | 0.78 | ALDH1A1 (0.45) | ALDH1A1MAPTHSD17B10HPGDKDM4E | |
| SCHEMBL4359586 | 0.78 | ALDH1A1 (0.45) | ALDH1A1MAPTHSD17B10HPGDKDM4E |
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 |