Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 2/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.35 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20769654 | 0.78 | TSHR (0.43) | TSHRSMN1; SMN2NOS1ALDH1A1NPC1 | |
| SCHEMBL3605034 | 0.78 | SMN1; SMN2 (0.46) | TSHRSMN1; SMN2NOS1ALDH1A1NPC1 | |
| SCHEMBL2981082 | 0.77 | — | — | |
| SCHEMBL77483 | 0.73 | SMN1; SMN2 (0.50) | TSHRSMN1; SMN2NOS1ALDH1A1NPC1 | |
| SCHEMBL11566662 | 0.72 | TSHR (0.42) | TSHRSMN1; SMN2NOS1ALDH1A1NPC1 | |
| SCHEMBL21044108 | 0.71 | TSHR (0.79) | TSHRSMN1; SMN2NOS1ALDH1A1NPC1 | |
| SCHEMBL4963518 | 0.70 | GABRA5 (0.47) | SMN1; SMN2NOS1ALDH1A1NPC1MAPT | |
| SCHEMBL20908390 | 0.69 | SMN1; SMN2 (0.46) | TSHRSMN1; SMN2NOS1ALDH1A1NPC1 | |
| Thiophene SCHEMBL2987379 | 0.69 | — | — | |
| SCHEMBL27370392 | 0.69 | GABRA5 (0.46) | TSHRSMN1; SMN2NOS1ALDH1A1NPC1 |
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-1888544-A2 | HYDROXYSTEROID DEHYDROGENASE INHIBITORS | Takeda San Diego, Inc. (US) | 2008-02-20 | — | — | EP | disclosed |
| WO-2006066109-A2 | HYDROXYSTEROID DEHYDROGENASE INHIBITORS | TAKEDA SAN DIEGO, INC. (US) | 2006-06-22 | — | — | WO | disclosed |