Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | MAP3K11 | Q16584 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 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 | 0.78 | CYP1A2 (0.48) | CYP3A4CYP2D6MAPTNPC1LMNA | |
| SCHEMBL6947942 | 0.76 | EGFR (0.43) | CYP3A4CYP2D6MAPTCYP2C9CYP1A2 | |
| SCHEMBL16339192 | 0.76 | DHFR (0.57) | — | |
| SCHEMBL6939915 | 0.75 | DHFR (0.56) | CYP3A4MAPTLMNACYP1A2KDM4E | |
| SCHEMBL6946589 | 0.75 | MAPT (0.37) | CYP3A4CYP2D6CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL6948190 | 0.75 | KRAS (0.40) | MAPTLMNAPIK3CAMTOREGFR | |
| SCHEMBL6941907 | 0.73 | ALDH1A1 (0.47) | CYP2D6LMNAPOLB | |
| SCHEMBL2598701 | 0.73 | KDR (0.42) | PDGFRBKDRPIK3CAEGFRFLT1 | |
| SCHEMBL7077175 | 0.72 | DHFR (0.59) | MAPTSMN1; SMN2KDREGFR | |
| SCHEMBL6948621 | 0.72 | PNP (0.47) | CYP3A4CYP2D6MAPTNPC1LMNA |
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 |