Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACP1 | P24666 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.38 |
| ▸ | EED | O75530 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | ITK | Q08881 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6677800 | 0.84 | MAPT (0.46) | CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL6236885 | 0.84 | CDC7 (0.55) | CDC7ALKTDP1CLK4MAPK1 | |
| SCHEMBL6240412 | 0.81 | ABCG2 (0.41) | CYP3A4CDC7ALKCLK4ITK | |
| SCHEMBL6270213 | 0.81 | FGFR1 (0.44) | CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL6683647 | 0.81 | PDE5A (0.41) | HSD17B10CLK4EGFRMAPTHPGD | |
| SCHEMBL6235443 | 0.79 | TP53 (0.41) | ALDH1A1HSD17B10TSHRMAPK1MAPT | |
| SCHEMBL6881176 | 0.76 | TAAR1 (0.43) | ACP1TAAR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6684324 | 0.74 | MKNK1 (0.45) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL6876454 | 0.72 | PTK2 (0.40) | MAPTLMNA | |
| SCHEMBL6237608 | 0.70 | CDC7 (0.35) | CYP3A4CDC7ALKCLK4MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0836613-B1 | WATER-SOLUBLE ADENOSINE KINASE INHIBITORS | METABASIS THERAPEUTICS INC (US) | 2005-05-25 | — | — | EP | disclosed |
| EP-0832091-B1 | C-4' MODIFIED ADENOSINE KINASE INHIBITORS | GENSIA SICOR INC (US) | 2004-01-14 | — | — | EP | disclosed |
| EP-0836613-A1 | WATER-SOLUBLE ADENOSINE KINASE INHIBITORS | GENSIA, INC. (US) | 1998-04-22 | — | — | EP | disclosed |
| WO-1996040707-A1 | WATER-SOLUBLE ADENOSINE KINASE INHIBITORS | GENSIA SICOR (US) | 1996-12-19 | — | — | WO | disclosed |