Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TRIM24 | O15164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5323141 | 1.00 | ALDH1A1 (0.42) | ALDH1A1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL4778784 | 0.97 | ALDH1A1 (0.40) | ALDH1A1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL9978088 | 0.75 | CYP1A2 (0.44) | ALDH1A1BACE1KMT2ABRD4NPC1 | |
| SCHEMBL10277537 | 0.74 | CCR1 (0.48) | ALDH1A1KMT2ACYP2A6NPC1RAB9A | |
| SCHEMBL2750728 | 0.74 | BACE1 (0.46) | ALDH1A1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL1701244 | 0.74 | SMN1; SMN2 (0.52) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL1104438 | 0.73 | HTR3E (0.42) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL19233647 | 0.73 | HTR3E (0.42) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL102893 | 0.73 | KDM4E (0.64) | ALDH1A1KMT2ANPC1RAB9AKDM4E | |
| SCHEMBL23725392 | 0.72 | KDM4E (0.31) | CYP2A6KDM4EMAPTPOLBGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |