Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | AHR | P35869 | 1/20 | 0.48 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8779377 | 0.79 | ALDH1A1 (0.57) | SMN1; SMN2NPC1ALDH1A1HPGDKDM4E | |
| P-Xylene SCHEMBL8779368 | 0.79 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1ALDH1A1HPGDKDM4E | |
| SCHEMBL8246439 | 0.78 | SMN1; SMN2 (0.53) | SMN1; SMN2NPC1ALDH1A1HPGDKDM4E | |
| SCHEMBL8779367 | 0.72 | KMT2A (0.64) | SMN1; SMN2NPC1ALDH1A1RAB9ACYP1A2 | |
| SCHEMBL6377851 | 0.70 | KMT2A (0.54) | SMN1; SMN2NPC1ALDH1A1KDM4ERAB9A | |
| 4-Nitrotoluene SCHEMBL8779382 | 0.69 | CSNK2A2 (0.64) | SMN1; SMN2NPC1ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL10404148 | 0.69 | KDM4E (0.53) | SMN1; SMN2NPC1ALDH1A1HPGDKDM4E | |
| SCHEMBL10683659 | 0.67 | HSD17B10 (0.47) | SMN1; SMN2ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL6796229 | 0.67 | MAPT (0.62) | SMN1; SMN2ALDH1A1HPGDTP53ADORA3 | |
| SCHEMBL6992440 | 0.67 | TP53 (0.40) | SMN1; SMN2NPC1ALDH1A1RAB9ATP53 |
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 |