Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 9/20 | 1.00 |
| ▸ | TP53 | P04637 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.60 |
| ▸ | RAB9A | P51151 | 2/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | PIM1 | P11309 | 1/20 | 0.56 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | CCR1 | P32246 | 1/20 | 0.54 |
| ▸ | CCR5 | P51681 | 1/20 | 0.54 |
| ▸ | CCR8 | P51685 | 1/20 | 0.54 |
| ▸ | METAP1 | P53582 | 1/20 | 0.54 |
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 SCHEMBL29389597 | 1.00 | CYP2A6 (1.00) | CYP2A6TP53SMN1; SMN2NPC1RAB9A | |
| [2,3'']Bipyridinyl SCHEMBL29486847 | 1.00 | CYP2A6 (1.00) | CYP2A6TP53SMN1; SMN2NPC1RAB9A | |
| [2,3'']Bipyridinyl SCHEMBL998601 | 1.00 | CYP2A6 (1.00) | CYP2A6TP53SMN1; SMN2NPC1RAB9A | |
| [2,3'']Bipyridinyl SCHEMBL1418333 | 0.98 | CYP2A6 (0.96) | CYP2A6TP53SMN1; SMN2NPC1RAB9A | |
| [2,3'']Bipyridinyl SCHEMBL29156067 | 0.96 | CYP2A6 (0.92) | CYP2A6TP53SMN1; SMN2NPC1RAB9A | |
| [2,3'']Bipyridinyl SCHEMBL29050665 | 0.94 | CYP2A6 (0.89) | CYP2A6TP53SMN1; SMN2NPC1RAB9A | |
| [2,3'']Bipyridinyl SCHEMBL29189545 | 0.94 | CYP2A6 (0.89) | CYP2A6TP53SMN1; SMN2NPC1RAB9A | |
| [2,3'']Bipyridinyl SCHEMBL29050656 | 0.94 | CYP2A6 (0.89) | CYP2A6TP53SMN1; SMN2NPC1RAB9A | |
| [2,3'']Bipyridinyl SCHEMBL29189475 | 0.94 | CYP2A6 (0.89) | CYP2A6TP53SMN1; SMN2NPC1RAB9A | |
| SCHEMBL3509967 | 0.92 | CYP2A6 (0.85) | CYP2A6TP53SMN1; SMN2NPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022020150-A1 | METHODS OF EXTENDING LIFESPAN BY ADMINISTERING FERROPTOSIS INHIBITORS | COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) | 2022-01-27 | — | — | WO | disclosed |