Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | JAK3 | P52333 | 1/20 | 0.46 |
| ▸ | TOP2A | P11388 | 1/20 | 0.45 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.45 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12846910 | 0.96 | ALDH1A1 (0.54) | ALDH1A1KDM4EGAAMAPTHTT | |
| SCHEMBL12846911 | 0.96 | ALDH1A1 (0.57) | ALDH1A1KDM4EGAAMAPTHTT | |
| SCHEMBL27635601 | 0.95 | ALDH1A1 (0.59) | ALDH1A1KDM4EGAAMAPTHTT | |
| SCHEMBL4347446 | 0.83 | MAPT (0.66) | ALDH1A1GAAMAPTHTTALOX15 | |
| SCHEMBL12846673 | 0.81 | SMN1; SMN2 (0.50) | ALDH1A1KDM4EMAPTHTTRAB9A | |
| SCHEMBL27635582 | 0.80 | SMN1; SMN2 (0.50) | ALDH1A1KDM4EMAPTHTTRAB9A | |
| SCHEMBL6522452 | 0.79 | ALDH1A1 (0.48) | ALDH1A1GAAMAPTHTTALOX15 | |
| SCHEMBL4351550 | 0.77 | MAPT (0.57) | ALDH1A1GAAMAPTHTTALOX15 | |
| SCHEMBL6522836 | 0.77 | RAB9A (0.49) | ALDH1A1GAAMAPTHTTALOX15 | |
| SCHEMBL6521874 | 0.76 | RAB9A (0.48) | ALDH1A1GAAMAPTHTTALOX15 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1701061-A | Novel compounds for inhibiting rotamase enzymes and uses thereof | JERINI AG (DE) | 2005-11-23 | — | — | CN | claimed |