Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | P2RX5 | Q93086 | 1/20 | 0.38 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4349894 | 0.86 | GAA (0.40) | DHODHAPEX1NPC1MAPTMCL1 | |
| SCHEMBL4347099 | 0.83 | APEX1 (0.49) | APEX1MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL13737975 | 0.83 | APEX1 (0.64) | APEX1NPC1MAPTALDH1A1KDM4E | |
| SCHEMBL4353361 | 0.82 | XDH (0.39) | ALDH1A1P2RX7GAATDP1HTT | |
| SCHEMBL6566879 | 0.81 | DHODH (0.43) | DHODHAPEX1NPC1MAPTMCL1 | |
| SCHEMBL4343499 | 0.81 | ALDH1A1 (0.39) | MAPTALDH1A1KDM4EHPGDMEN1 | |
| SCHEMBL4344516 | 0.80 | HSPA5 (0.48) | NPC1MAPTMCL1ALDH1A1KDM4E | |
| SCHEMBL10883879 | 0.78 | APEX1 (0.66) | DHODHAPEX1NPC1MAPTMCL1 | |
| SCHEMBL4350112 | 0.75 | LMNA (0.33) | MAPTKMT2APOLBGAATSHR | |
| SCHEMBL9402610 | 0.74 | GAA (0.59) | DHODHNPC1MAPTMCL1ALDH1A1 |
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 |
| WO-2004030664-A2 | NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF | JERINI AG (DE) | 2004-04-15 | — | — | WO | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |