Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | GPR183 | P32249 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GPR142 | Q7Z601 | 1/20 | 0.42 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16004254 | 0.89 | PIK3CA (0.47) | ALDH1A1KMT2ANPC1SMN1; SMN2MAPT | |
| SCHEMBL16004308 | 0.89 | ABCB1 (0.48) | ALDH1A1KMT2ANPC1ABCB1ABCC1 | |
| SCHEMBL16004248 | 0.87 | ABCB1 (0.50) | ALDH1A1KMT2ANPC1ABCB1ABCC1 | |
| SCHEMBL16004253 | 0.87 | SMN1; SMN2 (0.54) | ALDH1A1KMT2ANPC1ABCB1ABCC1 | |
| SCHEMBL16003975 | 0.86 | ABCB1 (0.46) | ALDH1A1KMT2ANPC1ABCB1ABCC1 | |
| SCHEMBL16003984 | 0.86 | MAPT (0.47) | ALDH1A1SIGMAR1KMT2AABCB1ABCC1 | |
| SCHEMBL16004136 | 0.86 | GPR142 (0.46) | ALDH1A1SIGMAR1KMT2ANPC1ABCB1 | |
| SCHEMBL16004138 | 0.85 | SIGMAR1 (0.48) | SIGMAR1KMT2ANPC1MAPTMEN1 | |
| SCHEMBL16004134 | 0.84 | ABCB1 (0.48) | ALDH1A1KMT2AABCB1ABCC1SMN1; SMN2 | |
| SCHEMBL16004238 | 0.84 | ABCB1 (0.47) | ALDH1A1KMT2ANPC1ABCB1ABCC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014133414-A2 | HETEROCYCLIC TGR5 BILE ACID RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR THE PRODUCTION AND USE THEREOF | АЛЛА ХЕМ ЛЛС (US) | 2014-09-04 | — | — | WO | disclosed |