Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4349840 | 0.92 | SLC6A4 (0.48) | SMN1; SMN2MEN1KMT2ACYP2C9CYP2C19 | |
| SCHEMBL4354940 | 0.90 | SLC6A4 (0.52) | SMN1; SMN2MEN1KMT2ACYP2C9CYP2C19 | |
| SCHEMBL4349243 | 0.90 | MAPT (0.46) | SMN1; SMN2MEN1KMT2ACYP2C9CYP2C19 | |
| SCHEMBL6227291 | 0.89 | SMN1; SMN2 (0.38) | SMN1; SMN2CHRNA7MEN1KMT2ACYP2C9 | |
| SCHEMBL4345899 | 0.88 | MEN1 (0.47) | SMN1; SMN2MEN1KMT2ACYP2C9CYP2C19 | |
| SCHEMBL4347275 | 0.87 | PRMT1 (0.42) | SMN1; SMN2MEN1KMT2ACYP2C9CYP2C19 | |
| SCHEMBL4343453 | 0.87 | SMN1; SMN2 (0.43) | SMN1; SMN2MEN1KMT2ACYP2C9CYP2C19 | |
| SCHEMBL4355860 | 0.87 | SMN1; SMN2 (0.39) | SMN1; SMN2CHRNA7MEN1KMT2ACYP2C9 | |
| SCHEMBL4343309 | 0.86 | NOX4 (0.45) | SMN1; SMN2CHRNA7MEN1KMT2ACYP2C9 | |
| SCHEMBL4350040 | 0.86 | KMT2A (0.58) | MEN1KMT2ACYP2C9CYP2C19MAPT |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2004030664-A2 | NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF | JERINI AG (DE) | 2004-04-15 | — | — | WO | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |