Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | EGLN2 | Q96KS0 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 4/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 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 | |
|---|---|---|---|---|
| SCHEMBL17651309 | 0.83 | TRPV4 (0.42) | TSHREGLN2ALDH1A1KDM4EUSP2 | |
| SCHEMBL16382688 | 0.80 | TSHR (0.44) | TSHRPOLBALDH1A1KDM4EUSP2 | |
| SCHEMBL410450 | 0.80 | TSHR (0.44) | TSHREGLN2ALDH1A1TRPV4AR | |
| SCHEMBL13199476 | 0.78 | TSHR (0.43) | TSHREGLN2POLBALDH1A1KDM4E | |
| SCHEMBL11562734 | 0.78 | POLB (0.50) | TSHRPOLBALDH1A1KDM4EUSP2 | |
| SCHEMBL22684010 | 0.78 | TRPV4 (0.38) | EGLN2ALDH1A1KDM4EUSP2TRPV4 | |
| SCHEMBL30629031 | 0.78 | POLB (0.50) | TSHRPOLBALDH1A1KDM4EUSP2 | |
| SCHEMBL30432017 | 0.78 | TRPV4 (0.38) | EGLN2ALDH1A1KDM4EUSP2TRPV4 | |
| SCHEMBL17545789 | 0.77 | TSHR (0.41) | TSHREGLN2ALDH1A1KDM4ETRPV4 | |
| SCHEMBL1222533 | 0.75 | TSHR (0.40) | TSHREGLN2ALDH1A1TRPV4AR |
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-105339355-B | Novel CYP17 inhibitor/antiandrogen | 奥赖恩公司 | 2018-02-27 | — | — | CN | disclosed |