Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK9 | P50750 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 2/20 | 0.37 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 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 | |
|---|---|---|---|---|
| SCHEMBL6032115 | 0.83 | ABL1 (0.39) | ABL1 | |
| SCHEMBL12724241 | 0.82 | CDK9 (0.40) | CDK9GSK3BDYRK1AEGFRAURKB | |
| SCHEMBL12724236 | 0.80 | CDK9 (0.38) | CDK9GSK3BDYRK1AAAK1S1PR3 | |
| SCHEMBL12724237 | 0.79 | PSEN1 (0.39) | CDK9RORC | |
| SCHEMBL12724175 | 0.79 | PSEN1 (0.48) | CDK9GSK3BDYRK1AS1PR3RORC | |
| SCHEMBL29353674 | 0.77 | CCNE1 (0.41) | S1PR3RORCSYKGABRA1GABRG2 | |
| SCHEMBL21394901 | 0.77 | CCNE1 (0.41) | S1PR3RORCSYKGABRA1GABRG2 | |
| SCHEMBL12724181 | 0.77 | PSEN1 (0.46) | CDK9GSK3BDYRK1AS1PR3RORC | |
| SCHEMBL12724212 | 0.76 | PSEN1 (0.45) | CDK9GSK3BDYRK1AS1PR3RORC | |
| SCHEMBL28641960 | 0.76 | GSK3B (0.45) | CDK9GSK3BDYRK1AEGFRAURKB |
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-7932271-B2 | Heterocyclic methyl sulfone derivative | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2011-04-26 | — | — | US | disclosed |
| US-7932271-B2 | Heterocyclic methyl sulfone derivative | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2011-04-26 | — | — | US | disclosed |