Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.47 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.44 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.44 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.44 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | QPCT | Q16769 | 7/20 | 0.40 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL29543900 | 0.86 | PDE4A (0.46) | HTR2CIP6K1IP6K3IP6K2TAAR1 | |
| SCHEMBL434618 | 0.86 | PDE4A (0.46) | HTR2CIP6K1IP6K3IP6K2TAAR1 | |
| SCHEMBL10602599 | 0.77 | KDM4E (0.37) | NPC1RAB9AQPCTKDM4EALDH1A1 | |
| SCHEMBL5440110 | 0.77 | CYP1A2 (0.48) | IP6K1PIN1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL6948806 | 0.77 | JAK2 (0.32) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL1019383 | 0.75 | IP6K1 (0.47) | IP6K1RAB9AKDM4EALDH1A1MAPK1 | |
| SCHEMBL8332578 | 0.75 | CDK2 (0.50) | HTR2CIP6K1IP6K3IP6K2PIN1 | |
| SCHEMBL28024950 | 0.74 | HRH3 (0.40) | NPC1RAB9AHPGDHRH3 | |
| SCHEMBL7158983 | 0.73 | LMNA (0.33) | IP6K1KDM4EALDH1A1GLAGAA | |
| SCHEMBL11200729 | 0.73 | KDM4E (0.32) | KDM4EALDH1A1GLAGAAHPGD |
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-1349857-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055521-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |
| WO-1998039344-A9 | NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE | — | 1999-01-21 | — | — | WO | disclosed |
| WO-1998039344-A1 | NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE | METABASIS THERAPEUTICS, INC. (US) | 1998-09-11 | — | — | WO | disclosed |