Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 8/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12552106 | 1.00 | TP53 (0.48) | TP53TSHRCYP3A4HSD17B10TDP1 | |
| SCHEMBL29950528 | 0.80 | TP53 (0.48) | TP53TSHRCYP3A4HSD17B10TDP1 | |
| SCHEMBL12427234 | 0.78 | TP53 (0.35) | TP53TSHRCYP3A4HSD17B10TDP1 | |
| SCHEMBL29954160 | 0.76 | CCR2 (0.34) | TP53TSHRCYP3A4HSD17B10TDP1 | |
| SCHEMBL12031466 | 0.76 | CYP3A4 (0.52) | TSHRCYP3A4HSD17B10TDP1ALDH1A1 | |
| SCHEMBL13303858 | 0.76 | HSD17B10 (0.52) | TSHRCYP3A4HSD17B10HPGD | |
| SCHEMBL13303832 | 0.76 | ALDH1A1 (0.33) | TP53TSHRMAPK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL12138250 | 0.76 | NISCH (0.33) | ALDH1A1CYP1A2CYP2A6HPGD | |
| SCHEMBL8148963 | 0.76 | CYP3A4 (0.41) | TP53TSHRCYP3A4SMN1; SMN2LMNA | |
| SCHEMBL12888041 | 0.76 | CYP1A2 (0.35) | TP53TSHRCYP3A4TDP1MAPK1 |
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 |