Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 5/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | KIF11 | P52732 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | HSPA9 | P38646 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4342197 | 0.86 | CDK1 (0.51) | CDK1MEN1KMT2ASMN1; SMN2MAPT | |
| SCHEMBL9453957 | 0.84 | CDK1 (0.68) | CDK1MEN1KMT2ASMN1; SMN2MAPT | |
| SCHEMBL4345745 | 0.84 | EPHX2 (0.71) | MEN1KMT2AMAPTHTTCA12 | |
| SCHEMBL4341860 | 0.83 | MEN1 (0.63) | CDK1MEN1KMT2ASMN1; SMN2MAPT | |
| SCHEMBL4359457 | 0.83 | MAPT (0.57) | CDK1MEN1KMT2ASMN1; SMN2MAPT | |
| SCHEMBL4353864 | 0.83 | CDK1 (0.51) | CDK1MEN1KMT2ASMN1; SMN2MAPT | |
| SCHEMBL4348978 | 0.82 | MEN1 (0.51) | CDK1MEN1KMT2ASMN1; SMN2MAPT | |
| SCHEMBL18031170 | 0.81 | GAA (0.69) | CDK1MEN1KMT2ASMN1; SMN2MAPT | |
| SCHEMBL4346164 | 0.80 | MAOB (0.60) | MEN1KMT2ASMN1; SMN2MAPTLMNA | |
| SCHEMBL4341294 | 0.80 | ALDH1A1 (0.63) | MEN1KMT2ASMN1; SMN2MAPTLMNA |
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 |