Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 5/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.45 |
| ▸ | STK39 | Q9UEW8 | 2/20 | 0.45 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4347958 | 0.88 | TSHR (0.50) | MAPTRAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL4354101 | 0.86 | SMN1; SMN2 (0.39) | MAPTRAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL4343611 | 0.85 | MAPT (0.49) | MAPTRAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL4342472 | 0.83 | P2RY1 (0.41) | MAPTRAB9AALDH1A1HSD17B10STK39 | |
| SCHEMBL4341297 | 0.83 | KMT2A (0.43) | MAPTRAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL4359460 | 0.82 | EPHX2 (0.46) | RAB9ANPC1MEN1KMT2ALMNA | |
| SCHEMBL4355356 | 0.82 | HSPD1 (0.49) | MAPTRAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL4346853 | 0.81 | STK39 (0.51) | MAPTRAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL5353973 | 0.80 | MEN1 (0.56) | MAPTRAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL4347315 | 0.78 | EGFR (0.49) | MAPTRAB9ANPC1SMN1; 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 |