Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1H | O95180 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PNP | P00491 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 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 | |
|---|---|---|---|---|
| SCHEMBL6946589 | 0.85 | MAPT (0.37) | CACNA1HHRH4HRH3CYP1A2CYP2D6 | |
| SCHEMBL6947942 | 0.80 | EGFR (0.43) | MPOCYP1A2CYP2D6GAAKDM4E | |
| SCHEMBL6939915 | 0.79 | DHFR (0.56) | KMT2ACYP1A2GAAKDM4EMAPT | |
| SCHEMBL6945088 | 0.79 | CYP1A2 (0.48) | MEN1KMT2ACYP1A2CYP2D6MAPT | |
| SCHEMBL6944405 | 0.77 | F2 (0.48) | MEN1KMT2AALDH1A1PNPHRH4 | |
| SCHEMBL6950878 | 0.76 | RAB9A (0.53) | ALDH1A1MMP2GAAMAPT | |
| SCHEMBL7077175 | 0.76 | DHFR (0.59) | MAPT | |
| SCHEMBL6948621 | 0.76 | PNP (0.47) | PNPCYP1A2CYP2D6GAAKDM4E | |
| SCHEMBL6941907 | 0.75 | ALDH1A1 (0.47) | KMT2AALDH1A1CYP2D6 | |
| SCHEMBL6949057 | 0.74 | RIPK1 (0.50) | MEN1KMT2AALDH1A1KDM4EMAPT |
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 |