Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | APEX1 | P27695 | 1/20 | 0.31 |
| ▸ | ACLY | P53396 | 1/20 | 0.30 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.30 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4343914 | 0.88 | POLB (0.32) | POLB | |
| SCHEMBL4342228 | 0.85 | CA2 (0.42) | POLBHTTMAPTALDH1A1TP53 | |
| SCHEMBL4351219 | 0.84 | POLB (0.38) | POLBHTTMAPTALDH1A1TP53 | |
| SCHEMBL4355874 | 0.83 | POLB (0.37) | POLBHTTMAPTALDH1A1TP53 | |
| SCHEMBL4358520 | 0.83 | AKR1C4 (0.36) | POLBHTTMAPTALDH1A1TP53 | |
| SCHEMBL4357522 | 0.78 | POLB (0.33) | POLBHTTMAPTALDH1A1TP53 | |
| SCHEMBL4352959 | 0.77 | POLB (0.40) | POLBHTTMAPTALDH1A1TP53 | |
| SCHEMBL6566803 | 0.75 | POLB (0.57) | POLBHTTMAPTALDH1A1NPSR1 | |
| SCHEMBL4351873 | 0.75 | POLB (0.38) | POLBHTTMAPTALDH1A1TP53 | |
| SCHEMBL4345666 | 0.75 | POLB (0.38) | POLBHTTMAPTALDH1A1TP53 |
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 |