Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL681142 | 1.00 | KMT2A (0.42) | KMT2ANPSR1L3MBTL1POLBADRB2 | |
| SCHEMBL681368 | 1.00 | KMT2A (0.42) | KMT2ANPSR1L3MBTL1POLBADRB2 | |
| SCHEMBL17803813 | 0.86 | HPGD (0.40) | ADRB2ADRB1CYP2D6NFKB1HIF1A | |
| SCHEMBL681025 | 0.85 | KMT2A (0.42) | KMT2ANPSR1L3MBTL1POLBADRB2 | |
| SCHEMBL681200 | 0.85 | KMT2A (0.42) | KMT2ANPSR1L3MBTL1POLBADRB2 | |
| SCHEMBL681029 | 0.85 | KMT2A (0.42) | KMT2ANPSR1L3MBTL1POLBADRB2 | |
| SCHEMBL681782 | 0.85 | CYP1A2 (0.38) | KMT2APOLBADRB2ADRB1CYP2D6 | |
| SCHEMBL681259 | 0.82 | ADRB2 (0.40) | ADRB2ADRB1CYP2D6NFKB1HIF1A | |
| SCHEMBL12194476 | 0.82 | FFAR2 (0.38) | KMT2AL3MBTL1POLBSLC6A4SLC6A3 | |
| SCHEMBL684828 | 0.81 | BRD4 (0.46) | KMT2ANPSR1L3MBTL1POLBADRB2 |
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 |