Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | HPGD | P15428 | 6/20 | 0.53 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.46 |
| ▸ | KLF5 | Q13887 | 2/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16004097 | 0.87 | GPR142 (0.47) | PIK3CARIPK1 | |
| SCHEMBL16004254 | 0.86 | PIK3CA (0.47) | ALDH1A1HPGDNPC1TP53SMN1; SMN2 | |
| SCHEMBL16004102 | 0.83 | PIK3CA (0.41) | ALDH1A1NPC1RAB9ATSHRPIK3CA | |
| SCHEMBL16004095 | 0.82 | LMNA (0.43) | ALDH1A1SMN1; SMN2PIK3CARIPK1LMNA | |
| SCHEMBL16003999 | 0.82 | PIK3CA (0.51) | ALDH1A1HPGDNPC1TP53SMN1; SMN2 | |
| SCHEMBL16004091 | 0.78 | ALDH1A1 (0.48) | ALDH1A1HPGDNPC1SMN1; SMN2RAB9A | |
| SCHEMBL16004297 | 0.77 | FKBP1A (0.51) | ALDH1A1HPGDNPC1SMN1; SMN2RAB9A | |
| SCHEMBL16003985 | 0.76 | ATM (0.43) | ALDH1A1HPGDTP53PIK3CARIPK1 | |
| SCHEMBL16004317 | 0.76 | GPR142 (0.61) | ALDH1A1TP53SMN1; SMN2PKMKMT2A | |
| SCHEMBL16004004 | 0.75 | GPR142 (0.49) | ALDH1A1HPGDNPC1SMN1; SMN2RAB9A |
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 |