Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | BCHE | P06276 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23842642 | 0.78 | GRM4 (0.48) | ALDH1A1HTTBCHEKMT2AHPGD | |
| SCHEMBL16906037 | 0.78 | GRM4 (0.48) | ALDH1A1HTTKMT2AMAPTSMN1; SMN2 | |
| SCHEMBL10288042 | 0.76 | ALDH1A1 (0.43) | ALDH1A1HTTBCHEKMT2AMAPT | |
| SCHEMBL27030120 | 0.76 | ALDH1A1 (0.48) | ALDH1A1HTTKMT2AMAPTSMN1; SMN2 | |
| SCHEMBL30355109 | 0.76 | ALDH1A1 (0.48) | ALDH1A1HTTKMT2AMAPTSMN1; SMN2 | |
| SCHEMBL358951 | 0.74 | ALDH1A1 (0.53) | ALDH1A1HTTKMT2AMAPTSMN1; SMN2 | |
| SCHEMBL358952 | 0.74 | ALDH1A1 (0.53) | ALDH1A1HTTKMT2AMAPTSMN1; SMN2 | |
| SCHEMBL4506841 | 0.72 | KDM4E (0.67) | ALDH1A1HTTTDP1KMT2AMAPT | |
| SCHEMBL4506844 | 0.72 | KDM4E (0.67) | ALDH1A1HTTTDP1KMT2AMAPT | |
| SCHEMBL16897778 | 0.72 | ALDH1A1 (0.40) | ALDH1A1HTTKMT2AMAPTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3092227-B1 | BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS | ORION CORP (FI) | 2018-07-11 | — | — | EP | disclosed |