Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 6/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1126526 | 0.78 | ADRA1A (0.48) | ALDH1A1FFAR3TSHRHIF1ACYP2D6 | |
| SCHEMBL23576186 | 0.78 | NAALAD2 (0.45) | ALDH1A1MEN1KMT2ACYP1A2THRB | |
| SCHEMBL5159992 | 0.78 | TSHR (0.36) | ALDH1A1FFAR3TSHRHIF1ACYP2D6 | |
| SCHEMBL31461872 | 0.78 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2ACYP1A2THRB | |
| SCHEMBL29157393 | 0.78 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2ACYP1A2THRB | |
| SCHEMBL509992 | 0.77 | NAALAD2 (0.44) | ALDH1A1MEN1KMT2ACYP1A2THRB | |
| SCHEMBL692324 | 0.77 | NAALAD2 (0.44) | ALDH1A1MEN1KMT2ACYP1A2THRB | |
| SCHEMBL2027663 | 0.75 | NAALAD2 (0.42) | ALDH1A1MEN1KMT2ACYP1A2THRB | |
| Hydrochloric Acid SCHEMBL9775480 | 0.75 | NAALAD2 (0.42) | ALDH1A1MEN1KMT2ACYP1A2THRB | |
| SCHEMBL8458616 | 0.75 | ALDH1A1 (0.40) | ALDH1A1MEN1KMT2ACYP1A2THRB |
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 |
|---|---|---|---|---|---|---|---|
| CN-110740757-B | Novel PSMA-binding agents and uses thereof | 同位素技术慕尼黑公司 | 2023-04-04 | — | — | CN | disclosed |