Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL8706715 | 0.90 | TSHR (0.46) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL9231096 | 0.83 | NPC1 (0.56) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL7497334 | 0.83 | ALDH1A1 (0.61) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL353571 | 0.81 | SMN1; SMN2 (0.57) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL11787275 | 0.80 | ALDH1A1 (0.58) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL18765958 | 0.79 | ALDH1A1 (0.66) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL11897377 | 0.77 | ALDH1A1 (0.63) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL29216481 | 0.77 | ALDH1A1 (0.69) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL28389819 | 0.77 | ALDH1A1 (0.63) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL8706846 | 0.77 | CES2 (0.53) | ALDH1A1KMT2ACES2CES1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998002432-A1 | BICYCLIC COMPOUNDS FOR CONTROLLING MICTURITION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-01-22 | — | — | WO | disclosed |
| EP-0657452-A1 | Imidazopyridines | MERCK PATENT GmbH (DE) | 1995-06-14 | — | — | EP | disclosed |