Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SNCA | P37840 | 1/20 | 0.40 |
| ▸ | ATP4A | P20648 | 1/20 | 0.38 |
| ▸ | ATP4B | P51164 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | TOP1 | P11387 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8779352 | 0.94 | NR3C1 (0.44) | ALDH1A1HPGDSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL8779375 | 0.85 | TOP1 (0.37) | ALDH1A1HPGDSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL8779346 | 0.82 | LMNA (0.57) | ALDH1A1SMN1; SMN2RAB9ANPC1MEN1 | |
| SCHEMBL8779305 | 0.81 | LMNA (0.61) | ALDH1A1SMN1; SMN2MEN1KMT2ALMNA | |
| SCHEMBL8350024 | 0.78 | TSHR (0.60) | ALDH1A1SMN1; SMN2RAB9ANPC1TSHR | |
| P-Xylene SCHEMBL8779430 | 0.74 | SMN1; SMN2 (0.57) | ALDH1A1HPGDSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL8779394 | 0.73 | TRPA1 (0.52) | ALDH1A1HPGDSMN1; SMN2RAB9ANPC1 | |
| P-Cresol SCHEMBL8779429 | 0.70 | SMN1; SMN2 (0.49) | ALDH1A1HPGDSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL171836 | 0.70 | TSHR (0.64) | ALDH1A1SMN1; SMN2RAB9ANPC1TSHR | |
| SCHEMBL8367844 | 0.70 | ALDH1A1 (0.49) | ALDH1A1HPGDSMN1; SMN2RAB9ANPC1 |
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-0579129-B1 | Thiadiazole derivatives for the treatment of depressive states | CT LAB FARM SRL (IT) | 1997-03-05 | — | — | EP | claimed |