Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.62 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | DHODH | Q02127 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12846674 | 0.89 | HTT (0.55) | HTTNPC1MEN1KMT2ARAB9A | |
| SCHEMBL4359277 | 0.85 | HTT (0.51) | HTTNPC1MEN1KMT2ARAB9A | |
| SCHEMBL6567241 | 0.82 | EPHX1 (0.59) | HTTNPC1MEN1KMT2ARAB9A | |
| SCHEMBL4341979 | 0.82 | POLB (0.54) | HTTNPC1MEN1KMT2APOLB | |
| SCHEMBL21116152 | 0.81 | HTT (0.61) | HTTNPC1MEN1KMT2ARAB9A | |
| SCHEMBL4342347 | 0.81 | HTT (0.70) | HTTNPC1MEN1KMT2ARAB9A | |
| SCHEMBL6526431 | 0.81 | HTT (0.47) | HTTNPC1MEN1KMT2ARAB9A | |
| SCHEMBL17849580 | 0.81 | MEN1 (0.60) | HTTNPC1MEN1KMT2ARAB9A | |
| SCHEMBL4351163 | 0.79 | HTT (0.58) | HTTNPC1MEN1KMT2ARAB9A | |
| SCHEMBL4343700 | 0.79 | HTT (0.50) | HTTMEN1KMT2APOLBKDM4E |
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 4 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-1402888-A1 | The use of substituted carbocyclic compounds as rotamases inhibitors | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |