Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.40 |
| ▸ | CHKA | P35790 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31186159 | 0.87 | BCHE (0.53) | BCHEACHEPARP1MRGPRX4CHKA | |
| SCHEMBL18121367 | 0.85 | CXCR4 (0.52) | BCHEACHEPARP1MRGPRX4CHKA | |
| SCHEMBL465875 | 0.85 | BCHE (0.53) | BCHEACHEPARP1MRGPRX4KDM4E | |
| SCHEMBL16705687 | 0.81 | BCHE (0.41) | BCHEACHEPARP1CHKAKDM4E | |
| SCHEMBL31721289 | 0.80 | BCHE (0.53) | BCHEACHEPARP1MRGPRX4CHKA | |
| SCHEMBL3320134 | 0.80 | BCHE (0.53) | BCHEACHEPARP1MRGPRX4CHKA | |
| SCHEMBL16705655 | 0.79 | GNE (0.46) | MRGPRX4KDM4ECYP2C9FAAHNPSR1 | |
| SCHEMBL30319456 | 0.79 | GNE (0.46) | MRGPRX4KDM4ECYP2C9FAAHNPSR1 | |
| SCHEMBL16705657 | 0.79 | GNE (0.46) | MRGPRX4KDM4ECYP2C9FAAHNPSR1 | |
| SCHEMBL16728791 | 0.78 | BCHE (0.44) | BCHEACHEPARP1MRGPRX4CHKA |
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-3068787-B1 | PICOLINATE CROSS-BRIDGED CYCLAMS, CHELATES WITH METALLIC CATIONS AND USE THEREOF | UNIVERSITÉ DE BRETAGNE OCCIDENTALE (FR) | 2017-11-01 | — | — | EP | disclosed |
| EP-2871186-B1 | Picolinate cross-bridged cyclams, chelates with metallic cations and use thereof | UNIVERSITÉ DE BRETAGNE OCCIDENTALE (FR) | 2016-09-21 | — | — | EP | disclosed |
| WO-2015071334-A1 | PICOLINATE CROSS-BRIDGED CYCLAMS, CHELATES WITH METALLIC CATIONS AND USE THEREOF | UNIVERSITÉ DE BRETAGNE OCCIDENTALE (FR) | 2015-05-21 | — | — | WO | disclosed |
| EP-2871186-A1 | Picolinate cross-bridged cyclams, chelates with metallic cations and use thereof | Université de Bretagne Occidentale (FR) | 2015-05-13 | — | — | EP | disclosed |