Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SI | P14410 | 1/20 | 0.35 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 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 | |
|---|---|---|---|---|
| P-Cresol SCHEMBL8779429 | 0.91 | SMN1; SMN2 (0.49) | SMN1; SMN2ALDH1A1LMNACYP2C19KMT2A | |
| 4-Nitrotoluene SCHEMBL8779412 | 0.83 | GAA (0.55) | SMN1; SMN2ALDH1A1LMNACYP2C19MAPT | |
| SCHEMBL1685227 | 0.83 | FBP1 (0.43) | SMN1; SMN2ALDH1A1LMNAKDM4EMAPT | |
| SCHEMBL94066 | 0.83 | — | — | |
| SCHEMBL8779394 | 0.82 | TRPA1 (0.52) | SMN1; SMN2ALDH1A1LMNAKMT2AMEN1 | |
| SCHEMBL8779346 | 0.81 | LMNA (0.57) | SMN1; SMN2ALDH1A1LMNAKMT2AMEN1 | |
| SCHEMBL28396937 | 0.81 | FBP1 (0.42) | ALDH1A1KDM4EMAPTMAPK1HPGD | |
| SCHEMBL28409125 | 0.81 | FBP1 (0.42) | ALDH1A1KDM4EMAPTMAPK1HPGD | |
| SCHEMBL21645232 | 0.81 | — | — | |
| SCHEMBL10611992 | 0.81 | — | — |
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 |