Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 2/20 | 0.46 |
| ▸ | BLM | P54132 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MITF | O75030 | 1/20 | 0.46 |
| ▸ | NSD2 | O96028 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | GALK1 | P51570 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10666300 | 0.87 | MEN1 (0.44) | ALDH1A1HTTTHRBBLMSMN1; SMN2 | |
| SCHEMBL28401654 | 0.82 | NR1H2 (0.44) | NPC1RAB9ANPSR1MEN1KMT2A | |
| SCHEMBL7029449 | 0.81 | MEN1 (0.40) | ALDH1A1HTTMAPTTHRBBLM | |
| SCHEMBL5859018 | 0.81 | TSHR (0.58) | ALDH1A1MAPTL3MBTL1MITFKMT2A | |
| SCHEMBL14521051 | 0.75 | MEN1 (0.43) | ALDH1A1HTTMAPTTHRBBLM | |
| SCHEMBL872381 | 0.75 | ALDH1A1 (0.49) | ALDH1A1THRBBLMNPC1RAB9A | |
| SCHEMBL28431237 | 0.74 | HTT (0.44) | ALDH1A1HTTMAPTTHRBBLM | |
| SCHEMBL5467765 | 0.74 | ALDH1A1 (0.45) | ALDH1A1HTTMAPTTHRBBLM | |
| SCHEMBL14398102 | 0.73 | MEN1 (0.42) | RAB9AMEN1KMT2ANR3C1TDP1 | |
| SCHEMBL3061911 | 0.72 | TSHR (0.59) | ALDH1A1HTTMAPTTHRBBLM |
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-5869731-A | CATIONIC DYES HAVING SPECIFIED COMPUTED ELECTROSTATIC SHIELDING ENERGY | BAYER AKTIENGESELLSCHAFT (DE) | 1999-02-09 | — | — | US | disclosed |
| US-5725607-A | COMPUTED ELECTROSTATIC SHIELDING ENERGY | BAYER AKTIENGESELLSCHAFT (DE) | 1998-03-10 | — | — | US | disclosed |
| EP-0752494-A1 | Process for reducing the toxicity of residual dyeing-baths and new cationic dyes | BAYER AG (DE) | 1997-01-08 | — | — | EP | disclosed |