Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 7/20 | 0.59 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6752911 | 0.87 | ALDH1A1 (0.66) | ALDH1A1TDP1TP53MAPTADAM17 | |
| SCHEMBL7743397 | 0.87 | ALDH1A1 (0.57) | ALDH1A1TDP1TP53MAPTADAM17 | |
| SCHEMBL11325997 | 0.84 | ALDH1A1 (0.71) | ALDH1A1TDP1TP53MAPTADAM17 | |
| SCHEMBL13684867 | 0.82 | ALDH1A1 (0.56) | ALDH1A1TDP1TP53MAPTADAM17 | |
| SCHEMBL21516157 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TDP1TP53MAPTADAM17 | |
| SCHEMBL28619945 | 0.77 | ALDH1A1 (0.57) | ALDH1A1TDP1TP53MAPTADAM17 | |
| SCHEMBL201255 | 0.77 | ALDH1A1 (0.57) | ALDH1A1TDP1TP53MAPTADAM17 | |
| SCHEMBL20353419 | 0.76 | ALDH1A1 (0.47) | ALDH1A1TDP1TP53MAPTADAM17 | |
| SCHEMBL11207452 | 0.76 | ALDH1A1 (1.00) | ALDH1A1TDP1TP53MAPTADAM17 | |
| SCHEMBL3975244 | 0.75 | ALDH1A1 (0.59) | ALDH1A1TDP1TP53MAPTADAM17 |
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-7592419-B2 | Macrocyclic inhibitors of hepatitis C virus NS3-serine protease | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |