Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL669840 | 0.88 | HTT (0.50) | HTTPOLBCYP3A4ALDH1A1TSHR | |
| SCHEMBL26761192 | 0.82 | CYP3A4 (0.45) | HTTPOLBCYP3A4ALDH1A1TSHR | |
| SCHEMBL205507 | 0.82 | HTT (0.41) | HTTPOLBCYP3A4ALDH1A1TSHR | |
| SCHEMBL11230051 | 0.80 | CYP3A4 (0.35) | HTTPOLBCYP3A4ALDH1A1TSHR | |
| SCHEMBL19785965 | 0.80 | CYP3A4 (0.40) | HTTPOLBCYP3A4ALDH1A1TSHR | |
| SCHEMBL11175266 | 0.80 | HTT (0.49) | HTTPOLBCYP3A4ALDH1A1TSHR | |
| SCHEMBL9976443 | 0.78 | ALDH1A1 (0.38) | HTTPOLBCYP3A4ALDH1A1TSHR | |
| SCHEMBL11139099 | 0.78 | HTT (0.38) | HTTPOLBCYP3A4ALDH1A1TSHR | |
| SCHEMBL17744510 | 0.78 | ALDH1A1 (0.40) | CYP3A4ALDH1A1TSHRALOX15SMN1; SMN2 | |
| SCHEMBL946031 | 0.78 | HTT (0.38) | HTTPOLBCYP3A4ALDH1A1TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3472154-A1 | COMPOUNDS | Enterprise Therapeutics Limited (GB) | 2019-04-24 | — | — | EP | disclosed |
| WO-2017221008-A1 | COMPOUNDS | Enterprise Therapeutics Limited (GB) | 2017-12-28 | — | — | WO | disclosed |