Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 6/20 | 0.57 |
| ▸ | LMNA | P02545 | 4/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 10/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 12/20 | 0.40 |
| ▸ | MEN1 | O00255 | 11/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8358598 | 1.00 | HTT (0.57) | HTTLMNAPTGS1PTGS2ALDH1A1 | |
| SCHEMBL13966066 | 0.81 | HTT (0.65) | HTTLMNAALDH1A1KDM4ETSHR | |
| SCHEMBL11853161 | 0.81 | HTT (0.65) | HTTLMNAALDH1A1KDM4ETSHR | |
| SCHEMBL11853151 | 0.81 | HTT (0.65) | HTTLMNAALDH1A1KDM4ETSHR | |
| SCHEMBL12650330 | 0.77 | LMNA (0.62) | HTTLMNAALDH1A1KDM4ETSHR | |
| SCHEMBL14454735 | 0.74 | HTT (0.56) | HTTLMNAALDH1A1KDM4ETSHR | |
| SCHEMBL22279891 | 0.74 | HTT (0.54) | HTTLMNAALDH1A1KDM4ETSHR | |
| SCHEMBL101154 | 0.73 | HTT (1.00) | HTTLMNAALDH1A1KDM4ETSHR | |
| SCHEMBL29844718 | 0.73 | HTT (1.00) | HTTLMNAALDH1A1KDM4ETSHR | |
| SCHEMBL132708 | 0.73 | HTT (1.00) | HTTLMNAALDH1A1KDM4ETSHR |
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 |