Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | SYK | P43405 | 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 | |
|---|---|---|---|---|
| SCHEMBL2157531 | 0.89 | MAPT (0.37) | ALDH1A1KDM4EHPGDALOX12GAA | |
| SCHEMBL3814750 | 0.84 | CYP1A2 (0.36) | ALDH1A1HPGDMAPTSMN1; SMN2 | |
| SCHEMBL3811515 | 0.83 | ALDH1A1 (0.38) | ALDH1A1HPGDMAPTMEN1LMNA | |
| SCHEMBL3809084 | 0.82 | CYP1A2 (0.39) | ALDH1A1HPGDMAPTSMN1; SMN2 | |
| SCHEMBL3807407 | 0.81 | IKBKB (0.36) | MAPTSMN1; SMN2 | |
| SCHEMBL3816891 | 0.81 | CYP1A2 (0.38) | ALDH1A1HPGDMAPTSMN1; SMN2 | |
| SCHEMBL3814761 | 0.80 | NPC1 (0.39) | ALDH1A1HPGDMAPTLMNAHTT | |
| SCHEMBL3809481 | 0.80 | CYP1A2 (0.37) | ALDH1A1HPGDMAPTHTTSMN1; SMN2 | |
| SCHEMBL3808899 | 0.80 | PDK1 (0.37) | ALDH1A1HPGDMAPTMEN1KMT2A | |
| SCHEMBL3807557 | 0.79 | HSD17B1 (0.40) | ALDH1A1KDM4EHPGDMAPTPKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-1401825-B1 | THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION | VIROCHEM PHARMA INC (CA) | 2009-08-05 | — | — | EP | claimed |