Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | MGAM | O43451 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | SI | P14410 | 2/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| P-Cresol SCHEMBL8779429 | 0.80 | SMN1; SMN2 (0.49) | ACHEALDH1A1MEN1KMT2AHPGD | |
| SCHEMBL8779394 | 0.79 | TRPA1 (0.52) | ALDH1A1MEN1KMT2AHPGDSMN1; SMN2 | |
| P-Xylene SCHEMBL8779430 | 0.77 | SMN1; SMN2 (0.57) | ACHEALDH1A1MEN1KMT2AHPGD | |
| SCHEMBL8779305 | 0.76 | LMNA (0.61) | ACHEALDH1A1MEN1KMT2ASMN1; SMN2 | |
| Metacresol SCHEMBL27639408 | 0.75 | — | — | |
| Metacresol SCHEMBL29352064 | 0.73 | — | — | |
| Metacresol SCHEMBL11437600 | 0.73 | ACHE (1.00) | ACHEALDH1A1CYP1A2CYP2C19HSD17B1 | |
| Metacresol SCHEMBL2314567 | 0.73 | ACHE (1.00) | ACHEALDH1A1CYP1A2CYP2C19HSD17B1 | |
| Metacresol SCHEMBL10736 | 0.73 | — | — | |
| Metacresol SCHEMBL9774388 | 0.73 | ACHE (1.00) | ACHEALDH1A1CYP1A2CYP2C19HSD17B1 |
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 |