Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 7/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.42 |
| ▸ | HTT | P42858 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSPA9 | P38646 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4346902 | 0.88 | EPHX2 (0.54) | PDE2AMAPTMEN1KMT2AHTT | |
| SCHEMBL4354905 | 0.87 | MAPT (0.51) | PDE2AMAPTALDH1A1NPSR1L3MBTL1 | |
| SCHEMBL4355430 | 0.86 | CNR1 (0.47) | MAPTALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL4359457 | 0.86 | MAPT (0.57) | MAPTALDH1A1NPSR1L3MBTL1MEN1 | |
| SCHEMBL4341754 | 0.83 | MEN1 (0.49) | PDE2AMAPTALDH1A1NPSR1L3MBTL1 | |
| SCHEMBL4354098 | 0.83 | ALDH1A1 (0.47) | MAPTALDH1A1MEN1KMT2AHTT | |
| SCHEMBL4349855 | 0.81 | KMT2A (0.56) | MAPTALDH1A1NPSR1KMT2ASMN1; SMN2 | |
| SCHEMBL4354075 | 0.80 | IDO1 (0.46) | MAPTALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL4351932 | 0.80 | KDM4E (0.41) | MAPTALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL4349891 | 0.78 | HTT (0.41) | MAPTALDH1A1L3MBTL1MEN1KMT2A |
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 |