Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.42 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6476469 | 0.87 | TRPV4 (0.54) | TRPV4KDM4EALDH1A1MEN1USP2 | |
| Hydrochloric Acid SCHEMBL6476582 | 0.86 | TRPV4 (0.52) | TRPV4KDM4EALDH1A1MEN1USP2 | |
| SCHEMBL25602494 | 0.84 | CSNK2A1 (0.42) | CSNK2A1KDM4EALDH1A1HTTMEN1 | |
| SCHEMBL31432318 | 0.81 | ALDH1A1 (0.47) | CSNK2A1TRPV4KDM4EALDH1A1HTT | |
| SCHEMBL7356606 | 0.80 | AR (0.46) | TRPV4KDM4EALDH1A1HTTMEN1 | |
| SCHEMBL3288455 | 0.80 | AR (0.47) | KDM4EALDH1A1HTTUSP2GAA | |
| Hydrochloric Acid SCHEMBL5901267 | 0.79 | AR (0.46) | KDM4EALDH1A1HTTUSP2GAA | |
| SCHEMBL523551 | 0.78 | MPO (0.54) | TRPV4KDM4EALDH1A1USP2MAPT | |
| SCHEMBL5440161 | 0.78 | AR (0.49) | TRPV4MPOAR | |
| SCHEMBL31527870 | 0.78 | USP2 (0.60) | CSNK2A1TRPV4KDM4EALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995035309-A1 | NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE | BASF AKTIENGESELLSCHAFT (DE) | 1995-12-28 | — | — | WO | disclosed |