Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4359987 | 0.86 | POLB (0.45) | HTTGAAMEN1KMT2APOLB | |
| SCHEMBL4350367 | 0.85 | HTT (0.62) | HTTGAAMEN1KMT2ANPC1 | |
| SCHEMBL4349891 | 0.83 | HTT (0.41) | HTTGAAMEN1KMT2APOLB | |
| SCHEMBL12846674 | 0.81 | HTT (0.55) | HTTGAAMEN1KMT2ANPC1 | |
| SCHEMBL4341765 | 0.81 | KMT2A (0.54) | HTTGAAMEN1KMT2ANPC1 | |
| SCHEMBL4348023 | 0.81 | MEN1 (0.55) | HTTMEN1KMT2ANPC1RAB9A | |
| SCHEMBL28784046 | 0.80 | GAA (0.42) | HTTGAANPC1KDM4EALDH1A1 | |
| SCHEMBL4346902 | 0.78 | EPHX2 (0.54) | HTTMEN1KMT2ARAB9AEPHX2 | |
| SCHEMBL4347844 | 0.78 | KMT2A (0.43) | HTTGAAMEN1KMT2ANPC1 | |
| SCHEMBL4349894 | 0.77 | GAA (0.40) | HTTGAAMEN1KMT2ANPC1 |
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 |