Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 3/20 | 0.35 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.35 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.35 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | GAK | O14976 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL26863114 | 0.86 | PTGS1 (0.41) | HTTPTK6SLC40A1GAKPTGS1 | |
| SCHEMBL26862942 | 0.84 | ALDH1A1 (0.41) | ALDH1A1HTTSMN1; SMN2PKMLMNA | |
| SCHEMBL26862941 | 0.84 | ALDH1A1 (0.41) | ALDH1A1HTTSMN1; SMN2PKMLMNA | |
| SCHEMBL26863377 | 0.83 | GAK (0.39) | HTTPTK6SLC40A1GAKPTGS1 | |
| SCHEMBL26862953 | 0.83 | IKBKB (0.38) | ALDH1A1HTTNAMPTSLC40A1TSHR | |
| SCHEMBL26864598 | 0.83 | IKBKB (0.38) | ALDH1A1HTTNAMPTSLC40A1TSHR | |
| SCHEMBL26862948 | 0.83 | GAK (0.37) | HTTPTK6GAKPTGS1PTGS2 | |
| SCHEMBL26862944 | 0.83 | GAK (0.37) | HTTPTK6GAKPTGS1PTGS2 | |
| SCHEMBL30666120 | 0.82 | BRAF (0.36) | ALDH1A1HTTGAKPTGS1PTGS2 | |
| SCHEMBL26864188 | 0.82 | BRAF (0.36) | ALDH1A1HTTGAKPTGS1PTGS2 |
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-2023225001-A1 | NAPHTHYRIDINE BASED ENPP1 MODULATORS AND USES THEREOF | Vir Biotechnology, Inc. (US) | 2023-11-23 | — | — | WO | disclosed |