Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 6/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 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 | |
|---|---|---|---|---|
| SCHEMBL8927291 | 0.87 | ALDH1A1 (0.38) | ALDH1A1L3MBTL1NPSR1MEN1KMT2A | |
| SCHEMBL8927294 | 0.87 | ALDH1A1 (0.38) | ALDH1A1L3MBTL1NPSR1MEN1KMT2A | |
| SCHEMBL8925690 | 0.81 | NPSR1 (0.38) | ALDH1A1L3MBTL1NPSR1MEN1KMT2A | |
| SCHEMBL8925686 | 0.81 | NPSR1 (0.38) | ALDH1A1L3MBTL1NPSR1MEN1KMT2A | |
| SCHEMBL8927293 | 0.81 | NPSR1 (0.38) | ALDH1A1NPSR1MEN1KMT2ALMNA | |
| SCHEMBL8741019 | 0.80 | NPSR1 (0.44) | ALDH1A1NPSR1MEN1KMT2ALMNA | |
| SCHEMBL5504515 | 0.80 | MAPT (0.40) | ALDH1A1NPSR1MEN1KMT2ALMNA | |
| SCHEMBL7054038 | 0.79 | MEN1 (0.42) | ALDH1A1NPSR1MEN1KMT2ALMNA | |
| SCHEMBL8102795 | 0.76 | NPSR1 (0.41) | ALDH1A1NPSR1MEN1KMT2ALMNA | |
| SCHEMBL7010290 | 0.76 | MAPT (0.41) | ALDH1A1NPSR1MEN1KMT2ALMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5648567-A | INTERMEDIATES FOR BACTERICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-07-15 | — | — | US | disclosed |
| US-5493048-A | REACTING METALLIZED FLUORO-TRIFLUOROMETHYLBENZENE DERIVATIVE WITH CARBON DIOXIDE AND PRODUCT IS THEN HYDROLYSED WITH AN ACID TO FORM ACID, SIMILARLY HALOGENATION GIVE ACID HALIDE AND WITH ALCOHOL GIVES ESTER | BAYER AKTIENGESELLSCHAFT (DE) | 1996-02-20 | — | — | US | disclosed |
| US-5457104-A | Antibacterials | BAYER AKTIENGESELLSCHAFT (DE) | 1995-10-10 | — | — | US | disclosed |