Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6946765 | 0.97 | CYP2D6 (0.44) | RAB9AALDH1A1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL6950878 | 0.92 | RAB9A (0.53) | RAB9AALDH1A1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL6948970 | 0.80 | MAPT (0.46) | RAB9AALDH1A1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL17802559 | 0.76 | DHFR (0.53) | CYP2D6DAODHFRGSK3B | |
| SCHEMBL6947942 | 0.73 | EGFR (0.43) | MAPTCYP2D6DHFRPOLB | |
| SCHEMBL6946791 | 0.72 | RAB9A (0.54) | RAB9AALDH1A1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL6950564 | 0.72 | AAK1 (0.40) | ALDH1A1MAPT | |
| SCHEMBL6944405 | 0.72 | F2 (0.48) | ALDH1A1MAPTSMN1; SMN2CYP2D6POLB | |
| SCHEMBL6939915 | 0.72 | DHFR (0.56) | MAPTDHFR | |
| SCHEMBL6946589 | 0.71 | MAPT (0.37) | RAB9AMAPTSMN1; SMN2NPC1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |