Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 4/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.33 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 3/20 | 0.31 |
| ▸ | USP30 | Q70CQ3 | 3/20 | 0.31 |
| ▸ | ACACA | Q13085 | 2/20 | 0.31 |
| ▸ | GBA1 | P04062 | 1/20 | 0.31 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.31 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.31 |
| ▸ | CKS1B | P61024 | 1/20 | 0.31 |
| ▸ | SKP1 | P63208 | 1/20 | 0.31 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1072632 | 0.89 | SMN1; SMN2 (0.36) | ACACBUCHL1KDM4EMEN1KMT2A | |
| SCHEMBL1273640 | 0.88 | RXFP1 (0.42) | ACACBHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL1274307 | 0.86 | ACACB (0.34) | ACACBHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL1072461 | 0.83 | SMN1; SMN2 (0.35) | ACACBUCHL1KDM4EMEN1KMT2A | |
| SCHEMBL8253556 | 0.79 | UCHL1 (0.45) | ACACBHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL1071232 | 0.79 | PIK3CD (0.33) | — | |
| SCHEMBL2428718 | 0.79 | CYP3A4 (0.32) | — | |
| Hydrochloric Acid SCHEMBL1071700 | 0.78 | PIK3CD (0.33) | — | |
| SCHEMBL1072152 | 0.75 | MEN1 (0.41) | ACACBMEN1KMT2ABACE1ACACA | |
| SCHEMBL1083306 | 0.75 | MEN1 (0.41) | ACACBMEN1KMT2ABACE1ACACA |
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 |
|---|---|---|---|---|---|---|---|
| US-7879797-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2011-02-01 | — | — | US | disclosed |