Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6230536 | 0.90 | SLC6A4 (0.46) | SLC6A4SLC6A2SLC6A3SMN1; SMN2CYP2C9 | |
| SCHEMBL4351063 | 0.90 | SMN1; SMN2 (0.43) | SLC6A4SLC6A2SLC6A3SMN1; SMN2CYP2C9 | |
| SCHEMBL4351669 | 0.88 | SLC6A4 (0.46) | SLC6A4SLC6A2SLC6A3SMN1; SMN2CYP2C9 | |
| SCHEMBL4354464 | 0.88 | SLC6A2 (0.46) | SLC6A4SLC6A2SLC6A3SMN1; SMN2CYP2C9 | |
| SCHEMBL4351152 | 0.88 | SLC6A4 (0.50) | SLC6A4SLC6A2SLC6A3SMN1; SMN2CYP2C9 | |
| SCHEMBL4351653 | 0.88 | SLC6A4 (0.53) | SLC6A4SLC6A2SLC6A3SMN1; SMN2CYP2C9 | |
| SCHEMBL4345562 | 0.88 | SLC6A2 (0.50) | SLC6A4SLC6A2SLC6A3SMN1; SMN2CYP2C9 | |
| SCHEMBL4349840 | 0.87 | SLC6A4 (0.48) | SLC6A4SLC6A2SLC6A3SMN1; SMN2CYP2C9 | |
| SCHEMBL12846505 | 0.86 | SLC6A4 (0.51) | SLC6A4SLC6A2SLC6A3SMN1; SMN2CYP2C9 | |
| SCHEMBL4345899 | 0.86 | MEN1 (0.47) | SLC6A4SLC6A2SLC6A3SMN1; SMN2CYP2C9 |
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 |