Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.64 |
| ▸ | NPC1 | O15118 | 7/20 | 0.64 |
| ▸ | RAB9A | P51151 | 7/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.64 |
| ▸ | HPGD | P15428 | 4/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.60 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.60 |
| ▸ | RELA | Q04206 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 4/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 4/20 | 0.50 |
| ▸ | APOBEC3A | P31941 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5660816 | 0.83 | CYP1A2 (1.00) | CYP1A2ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL758308 | 0.76 | CYP1A2 (0.77) | CYP1A2ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5070873 | 0.75 | NPC1 (0.56) | CYP1A2ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL18826019 | 0.74 | NPC1 (0.59) | CYP1A2ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL18787654 | 0.74 | NPC1 (0.67) | CYP1A2ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5068893 | 0.71 | NPC1 (0.82) | CYP1A2ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL23728497 | 0.70 | KDM4E (0.60) | ALDH1A1SMN1; SMN2HPGDHSD17B10KDM4E | |
| SCHEMBL18208129 | 0.70 | ALDH1A1 (1.00) | CYP1A2ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3284181 | 0.69 | CYP1A2 (0.74) | CYP1A2ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8344809 | 0.68 | RAB9A (1.00) | CYP1A2ALDH1A1NPC1RAB9ASMN1; 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 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 |