Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | SLC6A9 | P48067 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.37 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CPT2 | P23786 | 1/20 | 0.35 |
| ▸ | CPT1A | P50416 | 1/20 | 0.35 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4343453 | 0.92 | SMN1; SMN2 (0.43) | SMN1; SMN2KDM4EMEN1MAPTCYP2C9 | |
| SCHEMBL4346923 | 0.90 | SLC6A4 (0.43) | SLC6A2SLC6A4SLC6A3SMN1; SMN2KDM4E | |
| SCHEMBL4348911 | 0.89 | MEN1 (0.39) | SMN1; SMN2MEN1MAPTCYP2C9CYP2C19 | |
| SCHEMBL4354940 | 0.88 | SLC6A4 (0.52) | SLC6A2SLC6A4SLC6A3SMN1; SMN2SLC6A9 | |
| SCHEMBL4351627 | 0.87 | MAPT (0.39) | SLC6A2SLC6A4SLC6A3SMN1; SMN2MEN1 | |
| SCHEMBL4344018 | 0.86 | DHODH (0.38) | SMN1; SMN2KDM4EMEN1CYP3A4MAPT | |
| SCHEMBL4351090 | 0.85 | LMNA (0.41) | SMN1; SMN2SLC6A9KDM4ECYP3A4MAPT | |
| SCHEMBL4354650 | 0.84 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3SMN1; SMN2SLC6A9 | |
| SCHEMBL4347108 | 0.84 | KMT2A (0.50) | SMN1; SMN2KDM4EMEN1CYP3A4MAPT | |
| SCHEMBL4357651 | 0.82 | MAPT (0.43) | SMN1; SMN2MEN1CYP3A4MAPTCYP2C9 |
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 |