Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL4358620 | 0.89 | HPGD (0.43) | HPGDALDH1A1KMT2AGAAHTT | |
| SCHEMBL4358361 | 0.86 | HPGD (0.45) | HPGDALDH1A1KMT2AGAAHTT | |
| SCHEMBL4348825 | 0.86 | NPC1 (0.45) | HPGDALDH1A1KMT2AGAAHTT | |
| SCHEMBL4349848 | 0.82 | KMT2A (0.44) | HPGDALDH1A1KMT2AGAAHTT | |
| SCHEMBL4345602 | 0.82 | GAA (0.41) | HPGDALDH1A1KMT2AGAAHTT | |
| SCHEMBL4354188 | 0.81 | KMT2A (0.43) | HPGDALDH1A1KMT2AGAAHTT | |
| SCHEMBL4357813 | 0.79 | HSD17B2 (0.44) | HPGDALDH1A1KMT2AGAAHTT | |
| SCHEMBL4345462 | 0.79 | NPC1 (0.39) | HPGDALDH1A1KMT2AGAAHTT | |
| SCHEMBL4350885 | 0.77 | NPC1 (0.42) | HPGDALDH1A1KMT2AGAAHTT | |
| SCHEMBL4342163 | 0.76 | RAB9A (0.61) | HPGDALDH1A1KMT2AGAAHTT |
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 2 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 |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |