Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.36 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6945088 | 0.85 | CYP1A2 (0.48) | MAPTRAB9ASMN1; SMN2NPC1LMNA | |
| SCHEMBL6944461 | 0.85 | CACNA1H (0.41) | MAPTGAAKDM4EPKMTDP1 | |
| SCHEMBL6941907 | 0.81 | ALDH1A1 (0.47) | LMNAPOLBCYP2D6 | |
| SCHEMBL6948621 | 0.79 | PNP (0.47) | MAPTGAARAB9ASMN1; SMN2KDM4E | |
| SCHEMBL6947942 | 0.78 | EGFR (0.43) | MAPTGAAKDM4EPKMTDP1 | |
| SCHEMBL6944405 | 0.77 | F2 (0.48) | MAPTSMN1; SMN2KDM4ETDP1LMNA | |
| SCHEMBL6939915 | 0.77 | DHFR (0.56) | MAPTGAAKDM4EPKMTDP1 | |
| SCHEMBL6950771 | 0.75 | CYP3A4 (0.39) | MAPTGAARAB9ASMN1; SMN2KDM4E | |
| SCHEMBL7077175 | 0.74 | DHFR (0.59) | MAPTSMN1; SMN2 | |
| SCHEMBL6950878 | 0.73 | RAB9A (0.53) | MAPTGAARAB9ASMN1; SMN2NPC1 |
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 |