Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | AGER | Q15109 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5583502 | 0.88 | MAPK1 (0.57) | HTTNPSR1ALDH1A1POLBLMNA | |
| SCHEMBL638831 | 0.85 | TP53 (0.62) | HTTNPSR1ALDH1A1POLBLMNA | |
| SCHEMBL1198848 | 0.84 | TP53 (0.61) | HTTNPSR1ALDH1A1POLBLMNA | |
| SCHEMBL8272439 | 0.84 | LMNA (0.54) | HTTNPSR1ALDH1A1POLBLMNA | |
| SCHEMBL11068307 | 0.82 | SMN1; SMN2 (0.52) | HTTALDH1A1LMNASMN1; SMN2MAPT | |
| SCHEMBL12707597 | 0.79 | HTT (0.54) | HTTNPSR1ALDH1A1POLBLMNA | |
| SCHEMBL8586004 | 0.78 | TP53 (0.62) | HTTNPSR1ALDH1A1POLBLMNA | |
| SCHEMBL5583501 | 0.77 | TP53 (0.56) | HTTNPSR1ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL1198846 | 0.77 | TP53 (0.55) | HTTNPSR1ALDH1A1POLBLMNA | |
| SCHEMBL14998701 | 0.76 | TP53 (0.57) | HTTNPSR1ALDH1A1POLBLMNA |
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-1812112-A2 | CHEMICAL COMPOUNDS | SmithKline Beecham Corporation (US) | 2007-08-01 | — | — | EP | disclosed |
| WO-2006044753-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-04-27 | — | — | WO | disclosed |