Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 6/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | IDH1 | O75874 | 1/20 | 0.49 |
| ▸ | DDX3X | O00571 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 6/20 | 0.47 |
| ▸ | FPR2 | P25090 | 1/20 | 0.46 |
| ▸ | NPY2R | P49146 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4353867 | 0.85 | KMT2A (0.51) | KMT2AALDH1A1NPC1MAPTMEN1 | |
| SCHEMBL4346828 | 0.84 | DDX3X (0.66) | KMT2AALDH1A1NPC1MAPTMEN1 | |
| SCHEMBL4359559 | 0.82 | SMN1; SMN2 (0.56) | KMT2AALDH1A1NPC1MAPTMEN1 | |
| SCHEMBL4351601 | 0.80 | MAOA (0.59) | KMT2AALDH1A1NPC1MAPTMEN1 | |
| SCHEMBL17438146 | 0.80 | LMNA (0.66) | KMT2AALDH1A1NPC1MAPTMEN1 | |
| SCHEMBL4347168 | 0.79 | KMT2A (0.61) | KMT2AALDH1A1NPC1MAPTMEN1 | |
| SCHEMBL7814404 | 0.78 | KMT2A (0.55) | KMT2AALDH1A1MAPTLMNAHTT | |
| SCHEMBL4115616 | 0.78 | NPC1 (0.65) | KMT2AALDH1A1NPC1MAPTMEN1 | |
| SCHEMBL4346922 | 0.77 | TP53 (0.69) | KMT2AALDH1A1NPC1MAPTMEN1 | |
| SCHEMBL4341716 | 0.77 | RAB9A (0.62) | KMT2AALDH1A1NPC1MEN1IDH1 |
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 |