Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 11/20 | 0.63 |
| ▸ | LMNA | P02545 | 6/20 | 0.63 |
| ▸ | RAB9A | P51151 | 4/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 6/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | HTT | P42858 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | PTPN7 | P35236 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL4345564 | 0.81 | RAB9A (0.63) | SMN1; SMN2LMNARAB9AMEN1KMT2A | |
| SCHEMBL4341983 | 0.81 | SMN1; SMN2 (0.55) | SMN1; SMN2LMNARAB9ANPSR1MEN1 | |
| SCHEMBL4348625 | 0.81 | SMN1; SMN2 (0.71) | SMN1; SMN2LMNARAB9ANPSR1MEN1 | |
| SCHEMBL6565598 | 0.79 | SMN1; SMN2 (0.68) | SMN1; SMN2LMNARAB9ANPSR1MEN1 | |
| SCHEMBL28756963 | 0.78 | SMN1; SMN2 (0.83) | SMN1; SMN2LMNARAB9ANPSR1MEN1 | |
| SCHEMBL4349765 | 0.78 | SMN1; SMN2 (0.52) | SMN1; SMN2LMNARAB9AMEN1KMT2A | |
| SCHEMBL9529835 | 0.78 | MEN1 (0.73) | SMN1; SMN2LMNARAB9ANPSR1MEN1 | |
| SCHEMBL9530719 | 0.78 | MEN1 (0.73) | SMN1; SMN2LMNARAB9ANPSR1MEN1 | |
| SCHEMBL12313913 | 0.78 | SMN1; SMN2 (0.70) | SMN1; SMN2LMNARAB9ANPSR1MEN1 | |
| SCHEMBL10143959 | 0.76 | SMN1; SMN2 (0.72) | SMN1; SMN2LMNARAB9ANPSR1MEN1 |
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 |