Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 7/20 | 1.00 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.67 |
| ▸ | ACLY | P53396 | 1/20 | 0.65 |
| ▸ | MEN1 | O00255 | 5/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.64 |
| ▸ | MAPT | P10636 | 2/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.64 |
| ▸ | ABL1 | P00519 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.64 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.60 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.60 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.60 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.60 |
| ▸ | PKM | P14618 | 2/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.57 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL1308515 | 0.89 | GRIK1 (0.80) | GRIK1ACLYMEN1KMT2AAKR1C4 | |
| SCHEMBL1310106 | 0.86 | GRIK1 (0.74) | GRIK1ACLYMEN1KMT2AMAPT | |
| SCHEMBL2270137 | 0.83 | GRIK1 (0.70) | GRIK1ACLYMEN1KMT2AMAPT | |
| SCHEMBL1307097 | 0.81 | AKR1C2 (0.76) | GRIK1ACLYMEN1KMT2AMAPT | |
| SCHEMBL1308714 | 0.81 | MEN1 (0.76) | GRIK1ACLYMEN1KMT2APKM | |
| SCHEMBL6355650 | 0.80 | AKR1C2 (0.84) | GRIK1MEN1KMT2AMAPTTDP1 | |
| SCHEMBL6431740 | 0.80 | GRIK1 (1.00) | GRIK1GRIK2MEN1KMT2A | |
| SCHEMBL5145373 | 0.80 | ACLY (0.71) | GRIK1ACLYMEN1KMT2AMAPT | |
| SCHEMBL2269525 | 0.80 | GRIK1 (0.66) | GRIK1MEN1KMT2AMAPTTDP1 | |
| SCHEMBL21931016 | 0.79 | ACLY (1.00) | GRIK1GRIK2ACLYMEN1KMT2A |
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-7429677-B2 | Small molecule entry inhibitors | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2008-09-30 | — | — | US | disclosed |
| US-7429677-B2 | Small molecule entry inhibitors | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2008-09-30 | — | — | US | disclosed |