Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 5/20 | 0.56 |
| ▸ | POLB | P06746 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.40 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4343493 | 0.82 | HTT (0.59) | HTTPOLBMAPTALDH1A1MEN1 | |
| SCHEMBL4345688 | 0.82 | HTT (0.56) | HTTPOLBMAPTALDH1A1MEN1 | |
| SCHEMBL4346754 | 0.82 | POLB (0.50) | HTTPOLBMAPTALDH1A1MEN1 | |
| SCHEMBL4351212 | 0.82 | POLB (0.56) | HTTPOLBMAPTALDH1A1MEN1 | |
| SCHEMBL6669894 | 0.74 | HTT (0.49) | HTTPOLBMAPTALDH1A1MEN1 | |
| SCHEMBL4350392 | 0.73 | HTT (0.44) | HTTPOLBMAPTALDH1A1MEN1 | |
| SCHEMBL4343912 | 0.73 | HTT (0.47) | HTTPOLBMAPTALDH1A1MEN1 | |
| SCHEMBL4351871 | 0.72 | HTT (0.59) | HTTPOLBMAPTALDH1A1MEN1 | |
| SCHEMBL4342223 | 0.72 | HTT (0.59) | HTTPOLBMAPTALDH1A1MEN1 | |
| SCHEMBL9355395 | 0.70 | HTT (0.47) | HTTPOLBMAPTALDH1A1MEN1 |
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 |