Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 6/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13735919 | 0.88 | APEX1 (0.41) | MAPK1ALDH1A1LMNASMN1; SMN2GAA | |
| SCHEMBL4343483 | 0.82 | ESR1 (0.39) | ALOX5HSD17B10ALDH1A1LMNA | |
| SCHEMBL4357530 | 0.78 | ALDH1A1 (0.42) | MAPK1CA2CA1TSHRHSD17B10 | |
| SCHEMBL4358489 | 0.77 | SMN1; SMN2 (0.42) | MAPK1ALOX5CA2CA1ALDH1A1 | |
| SCHEMBL4351937 | 0.76 | MAPK1 (0.33) | MAPK1ALDH1A1MAPTGAA | |
| SCHEMBL4345618 | 0.75 | TSHR (0.47) | HSP90AA1HSP90AB1CA2CA1TSHR | |
| SCHEMBL4341619 | 0.75 | P2RX1 (0.46) | TSHRHSD17B10ALDH1A1LMNAMAPT | |
| SCHEMBL4343611 | 0.75 | MAPT (0.49) | HSP90AA1HSP90AB1CA2CA1HSD17B10 | |
| SCHEMBL4350022 | 0.75 | PKM (0.44) | CA2CA1TSHRALDH1A1LMNA | |
| SCHEMBL4346130 | 0.74 | CA1 (0.51) | CA2CA1HSD17B10MAPT |
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 |