Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.47 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.47 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5256081 | 1.00 | SMN1; SMN2 (0.53) | SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10 | |
| SCHEMBL28746033 | 1.00 | SMN1; SMN2 (0.53) | SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10 | |
| SCHEMBL5256700 | 0.83 | SSTR3 (0.58) | SMN1; SMN2ALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL5255157 | 0.83 | SSTR3 (0.58) | SMN1; SMN2ALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL14565583 | 0.83 | SSTR3 (0.58) | SMN1; SMN2ALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL6205464 | 0.82 | CNR1 (0.58) | SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10 | |
| SCHEMBL6083987 | 0.81 | CNR1 (0.60) | SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10 | |
| SCHEMBL6084329 | 0.81 | CNR1 (0.60) | SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10 | |
| SCHEMBL6832879 | 0.80 | HPGDS (0.57) | — | |
| SCHEMBL6083965 | 0.80 | TAS1R3 (0.53) | SMN1; SMN2ALDH1A1HCRTR1HCRTR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1453801-B1 | SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |
| US-6747053-B2 | Heteroaryl nitriles | ROCHE PALO ALTO LLC | 2004-06-08 | — | — | US | disclosed |