Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 6/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | KIF11 | P52732 | 1/20 | 0.47 |
| ▸ | HSPA9 | P38646 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL4358929 | 0.86 | CDK1 (0.53) | CDK1MEN1KMT2ACA12CA1 | |
| SCHEMBL4354013 | 0.85 | MEN1 (0.64) | CDK1MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL4341318 | 0.83 | MAPT (0.59) | CDK1MEN1KMT2ACA12CA1 | |
| SCHEMBL9453957 | 0.83 | CDK1 (0.68) | CDK1MEN1KMT2ACA12CA1 | |
| SCHEMBL4345620 | 0.82 | KMT2A (0.59) | MEN1KMT2AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL4348076 | 0.81 | MEN1 (0.62) | MEN1KMT2AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL18031170 | 0.80 | GAA (0.69) | CDK1MEN1KMT2ACA12CA1 | |
| SCHEMBL4350936 | 0.79 | KMT2A (0.62) | MEN1KMT2AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL4345484 | 0.77 | HRAS (0.54) | CDK1MEN1KMT2ACA12CA1 | |
| SCHEMBL4353931 | 0.77 | TMPRSS4 (0.58) | CDK1MEN1KMT2AMAPTALDH1A1 |
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 |