Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | AKT2 | P31751 | 1/20 | 0.37 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL680165 | 0.95 | AKT1 (0.36) | SLC6A4SLC6A3CYP3A4AKT1AKT2 | |
| SCHEMBL680761 | 0.89 | EPHX1 (0.40) | EPHX1EPHX2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL12188413 | 0.86 | NPC1 (0.41) | EPHX1EPHX2SLC6A4SLC6A3NPC1 | |
| SCHEMBL681699 | 0.85 | AKT1 (0.41) | SLC6A4SLC6A3CYP1A2NPC1RAB9A | |
| SCHEMBL12194519 | 0.84 | CYP3A4 (0.40) | SLC6A4SLC6A3CYP1A2CYP3A4MEN1 | |
| SCHEMBL681289 | 0.84 | AKT1 (0.38) | SLC6A4SLC6A3CYP3A4AKT1AKT2 | |
| SCHEMBL16263182 | 0.84 | AKT1 (0.38) | SLC6A4SLC6A3CYP3A4AKT1AKT2 | |
| SCHEMBL2738427 | 0.84 | NPC1 (0.41) | EPHX1EPHX2SLC6A4SLC6A3NPC1 | |
| SCHEMBL681385 | 0.83 | LMNA (0.38) | — | |
| SCHEMBL17803806 | 0.82 | LMNA (0.37) | AKT1AKT2AKT3MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-9359340-B2 | Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors | ARRAY BIOPHARMA INC. (US) | 2016-06-07 | — | — | US | disclosed |
| US-8063050-B2 | Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors | ARRAY BIOPHARMA INC. (US) | 2011-11-22 | — | — | US | disclosed |