Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.42 |
| ▸ | GPR183 | P32249 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 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 | |
|---|---|---|---|---|
| SCHEMBL16004091 | 0.89 | ALDH1A1 (0.48) | SMN1; SMN2HPGDNPC1RAB9AMAPT | |
| SCHEMBL16004303 | 0.89 | HPGD (0.49) | PIK3CASMN1; SMN2HPGDNPC1RAB9A | |
| SCHEMBL16004097 | 0.88 | GPR142 (0.47) | PIK3CARIPK1 | |
| SCHEMBL16004086 | 0.86 | ALDH1A1 (0.53) | PIK3CASMN1; SMN2HPGDNPC1RAB9A | |
| SCHEMBL16004247 | 0.84 | HPGD (0.51) | PIK3CASMN1; SMN2HPGDNPC1RAB9A | |
| SCHEMBL16003999 | 0.83 | PIK3CA (0.51) | PIK3CASMN1; SMN2HPGDNPC1ALDH1A1 | |
| SCHEMBL16004102 | 0.83 | PIK3CA (0.41) | PIK3CANPC1RAB9AALDH1A1RIPK1 | |
| SCHEMBL16003985 | 0.82 | ATM (0.43) | PIK3CAHPGDALDH1A1KMT2AMEN1 | |
| SCHEMBL16004095 | 0.81 | LMNA (0.43) | PIK3CASMN1; SMN2ALDH1A1RIPK1LMNA | |
| SCHEMBL16004317 | 0.80 | GPR142 (0.61) | SMN1; SMN2MAPTALDH1A1KMT2AMEN1 |
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 |