Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | NOX4 | Q9NPH5 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | G6PD | P11413 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CCR6 | P51684 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4346923 | 0.94 | SLC6A4 (0.43) | SMN1; SMN2NOX4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL4351627 | 0.93 | MAPT (0.39) | SMN1; SMN2NOX4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL4354464 | 0.92 | SLC6A2 (0.46) | SMN1; SMN2NOX4CYP2C9CYP2C19DHODH | |
| SCHEMBL4351090 | 0.91 | LMNA (0.41) | SMN1; SMN2NOX4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL4348911 | 0.90 | MEN1 (0.39) | SMN1; SMN2NOX4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL4344018 | 0.90 | DHODH (0.38) | SMN1; SMN2NOX4CYP2C9CYP2C19DHODH | |
| SCHEMBL4347108 | 0.90 | KMT2A (0.50) | SMN1; SMN2NOX4CYP2C9CYP2C19EGFR | |
| SCHEMBL4357651 | 0.88 | MAPT (0.43) | SMN1; SMN2CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL4351063 | 0.87 | SMN1; SMN2 (0.43) | SMN1; SMN2CYP2C9CYP2C19CYP2D6RAB9A | |
| SCHEMBL4347491 | 0.83 | CTSD (0.40) | SMN1; SMN2RAB9AMEN1KMT2A |
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 |