Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 3/20 | 0.40 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | LDHA | P00338 | 2/20 | 0.38 |
| ▸ | LDHB | P07195 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.36 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.36 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL681467 | 0.86 | CNR2 (0.41) | ADRB2CNR2LDHALDHBLMNA | |
| SCHEMBL681594 | 0.84 | CA1 (0.38) | CNR2LDHALDHBCA1CA2 | |
| SCHEMBL681564 | 0.84 | CA1 (0.38) | CNR2LDHALDHBCA1CA2 | |
| SCHEMBL17803813 | 0.84 | HPGD (0.40) | ADRB2CYP1A2CYP2D6TSHRNFKB1 | |
| SCHEMBL684762 | 0.82 | CNR2 (0.43) | ADRB2CNR2LDHALDHBLMNA | |
| SCHEMBL681142 | 0.82 | KMT2A (0.42) | ADRB2LMNACYP1A2CYP2D6TSHR | |
| SCHEMBL681371 | 0.82 | KMT2A (0.42) | ADRB2LMNACYP1A2CYP2D6TSHR | |
| SCHEMBL681782 | 0.82 | CYP1A2 (0.38) | ADRB2LMNACYP1A2CYP2D6TSHR | |
| SCHEMBL681368 | 0.82 | KMT2A (0.42) | ADRB2LMNACYP1A2CYP2D6TSHR | |
| SCHEMBL2738443 | 0.81 | CNR2 (0.45) | ADRB2CNR2LDHALDHBLMNA |
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-8063050-B2 | Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors | ARRAY BIOPHARMA INC. (US) | 2011-11-22 | — | — | US | disclosed |