Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.89 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CNR2 | P34972 | 1/20 | 0.53 |
| ▸ | PIM1 | P11309 | 1/20 | 0.52 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CCR1 | P32246 | 1/20 | 0.48 |
| ▸ | CCR5 | P51681 | 1/20 | 0.48 |
| ▸ | CCR8 | P51685 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| [2,3'']Bipyridinyl SCHEMBL29189545 | 1.00 | CYP2A6 (0.89) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| [2,3'']Bipyridinyl SCHEMBL29050665 | 1.00 | CYP2A6 (0.89) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| [2,3'']Bipyridinyl SCHEMBL29189475 | 1.00 | CYP2A6 (0.89) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| [2,3'']Bipyridinyl SCHEMBL29360744 | 0.94 | CYP2A6 (1.00) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| [2,3'']Bipyridinyl SCHEMBL29389597 | 0.94 | CYP2A6 (1.00) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| [2,3'']Bipyridinyl SCHEMBL29486847 | 0.94 | CYP2A6 (1.00) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| [2,3'']Bipyridinyl SCHEMBL998601 | 0.94 | CYP2A6 (1.00) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| [2,3'']Bipyridinyl SCHEMBL1418333 | 0.92 | CYP2A6 (0.96) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| [2,3'']Bipyridinyl SCHEMBL29156067 | 0.90 | CYP2A6 (0.92) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| [2,3'']Bipyridinyl SCHEMBL29031321 | 0.89 | CYP2A6 (0.82) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111491936-B | Macrocyclic compounds as PDE1 inhibitors | H.隆德贝克有限公司 | 2023-07-04 | — | — | CN | claimed |
| CN-111491936-B | Macrocyclic compounds as PDE1 inhibitors | H.隆德贝克有限公司 | 2023-07-04 | — | — | CN | disclosed |