Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | STK39 | Q9UEW8 | 2/20 | 0.36 |
| ▸ | PNLIP | P16233 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL4354101 | 0.91 | SMN1; SMN2 (0.39) | RAB9ANPY5RSMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL4354080 | 0.89 | ALDH1A1 (0.36) | RAB9ASMN1; SMN2ALDH1A1MAPTSTK39 | |
| SCHEMBL4348453 | 0.88 | PDE2A (0.42) | SMN1; SMN2LMNAEPHX2HTT | |
| SCHEMBL4347958 | 0.86 | TSHR (0.50) | TSHRRAB9APKMSMN1; SMN2ALDH1A1 | |
| SCHEMBL4345461 | 0.82 | TSHR (0.44) | TSHRRAB9APKMNPY5RSMN1; SMN2 | |
| SCHEMBL4351937 | 0.81 | MAPK1 (0.33) | ALDH1A1MAPTMEN1KMT2AGAA | |
| SCHEMBL4349857 | 0.77 | POLB (0.41) | TSHRRAB9ASMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL4348023 | 0.77 | MEN1 (0.55) | TSHRRAB9ASMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL4346166 | 0.77 | TSHR (0.49) | TSHRRAB9APKMSMN1; SMN2ALDH1A1 | |
| SCHEMBL4346608 | 0.76 | TSHR (0.47) | TSHRRAB9APKMSMN1; SMN2ALDH1A1 |
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 2 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 |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |