Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29956924 | 0.80 | TP53 (0.48) | TP53TSHRCYP3A4ALDH1A1TDP1 | |
| SCHEMBL12552106 | 0.80 | TP53 (0.48) | TP53TSHRCYP3A4ALDH1A1TDP1 | |
| SCHEMBL12190382 | 0.78 | TP53 (0.35) | TP53TSHRCYP3A4ALDH1A1TDP1 | |
| SCHEMBL30957217 | 0.78 | — | — | |
| SCHEMBL12887731 | 0.76 | CYP1A2 (0.35) | TP53CYP3A4ALDH1A1TDP1MEN1 | |
| SCHEMBL8148931 | 0.76 | CYP3A4 (0.46) | TP53TSHRCYP3A4ALDH1A1POLB | |
| SCHEMBL29955916 | 0.76 | CA3 (0.30) | ALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL29953445 | 0.76 | CYP3A4 (0.46) | TP53TSHRCYP3A4ALDH1A1POLB | |
| SCHEMBL10751103 | 0.75 | TP53 (0.48) | TP53TSHRCYP3A4ALDH1A1TDP1 | |
| SCHEMBL6422615 | 0.75 | TP53 (0.48) | TP53TSHRCYP3A4ALDH1A1TDP1 |
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 |