Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 6/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.60 |
| ▸ | HTT | P42858 | 4/20 | 0.60 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | NPC1 | O15118 | 3/20 | 0.60 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.60 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.60 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.60 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.60 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.60 |
| ▸ | PDE4A | P27815 | 1/20 | 0.60 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.60 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.60 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.60 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.60 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | CNR1 | P21554 | 5/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL4347321 | 0.89 | P2RY1 (0.61) | MEN1KMT2AHTTLMNANPC1 | |
| SCHEMBL4351601 | 0.85 | MAOA (0.59) | MEN1KMT2AHTTLMNANPC1 | |
| SCHEMBL4348841 | 0.85 | MEN1 (0.57) | MEN1KMT2AHTTLMNANPC1 | |
| SCHEMBL14758363 | 0.85 | MEN1 (0.72) | MEN1KMT2AHTTLMNANPC1 | |
| SCHEMBL4348076 | 0.83 | MEN1 (0.62) | MEN1KMT2AHTTLMNANPC1 | |
| SCHEMBL4345497 | 0.83 | MEN1 (0.74) | MEN1KMT2AHTTLMNANPC1 | |
| SCHEMBL4548132 | 0.82 | IDH1 (0.64) | MEN1KMT2AHTTLMNANPC1 | |
| SCHEMBL11048619 | 0.80 | MEN1 (0.76) | MEN1KMT2AHTTLMNANPC1 | |
| SCHEMBL4741253 | 0.80 | MEN1 (0.76) | MEN1KMT2AHTTLMNANPC1 | |
| SCHEMBL4357636 | 0.80 | MAPT (0.61) | MEN1KMT2AHTTLMNAEPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100546977-C | Suppress the new compound and the application thereof of rotamase | JERINI AG (DE) | 2009-10-07 | — | — | CN | claimed |
| 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 |