Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL4351219 | 0.84 | POLB (0.38) | POLBALDH1A1HPGDHTTMAPT | |
| SCHEMBL4345693 | 0.83 | POLB (0.37) | POLBALDH1A1HPGDHTTMAPT | |
| SCHEMBL4350397 | 0.76 | POLB (0.34) | POLBALDH1A1HPGDHTTMAPT | |
| SCHEMBL4343914 | 0.75 | POLB (0.32) | POLB | |
| SCHEMBL4342228 | 0.75 | CA2 (0.42) | POLBALDH1A1HPGDCYP3A4CASP1 | |
| SCHEMBL4351873 | 0.75 | POLB (0.38) | POLBHSD17B10ALDH1A1HPGDHTT | |
| SCHEMBL4346754 | 0.72 | POLB (0.50) | POLBHIF1ATSHRHSD17B10CYP2C9 | |
| SCHEMBL4358520 | 0.72 | AKR1C4 (0.36) | POLBHIF1ATSHRHSD17B10ALDH1A1 | |
| SCHEMBL4345611 | 0.72 | MAPT (0.42) | POLBTSHRHSD17B10ALDH1A1HPGD | |
| SCHEMBL4347757 | 0.72 | PTGES (0.36) | HIF1ATSHRHSD17B10CYP2C9ALDH1A1 |
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 |