Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11904607 | 0.94 | ALDH1A1 (0.43) | ALDH1A1KDM4ECYP3A4CA2CNR2 | |
| SCHEMBL8440732 | 0.94 | ALDH1A1 (0.46) | ALDH1A1KDM4ECYP3A4CA2CNR2 | |
| SCHEMBL411184 | 0.92 | ALDH1A1 (0.49) | ALDH1A1KDM4ECYP3A4CA2TSHR | |
| SCHEMBL1812804 | 0.92 | ALDH1A1 (0.42) | ALDH1A1KDM4ECYP3A4CA2CNR2 | |
| SCHEMBL8435861 | 0.91 | KCNH2 (0.45) | ALDH1A1KDM4ECNR2TSHR | |
| Hydrochloric Acid SCHEMBL11413011 | 0.90 | ALDH1A1 (0.48) | ALDH1A1KDM4ECYP3A4CA2TSHR | |
| SCHEMBL1472532 | 0.89 | ALDH1A1 (0.43) | ALDH1A1KDM4ECYP3A4CA2CNR2 | |
| SCHEMBL8438717 | 0.89 | ALDH1A1 (0.47) | ALDH1A1KDM4ECYP3A4CA2CNR2 | |
| SCHEMBL15009700 | 0.84 | ALDH1A1 (0.43) | ALDH1A1KDM4ECYP3A4CA2TSHR | |
| SCHEMBL1817681 | 0.82 | ALDH1A1 (0.40) | ALDH1A1KDM4ECYP3A4CA2CNR2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5865857-A | COLORFASTNESS; PHOTOSTABILITY | ZENECA LIMITED (GB) | 1999-02-02 | — | — | US | disclosed |
| EP-0667887-B1 | DYES | ZENECA LTD (GB) | 1998-09-23 | — | — | EP | disclosed |
| US-5660598-A | PRODUCE LIGHTFAST BLUE TO GREEN SHADES ON SYNTHETIC TEXTILES | ZENECA LIMITED (GB) | 1997-08-26 | — | — | US | disclosed |
| EP-0667887-A1 | DYES | ZENECA LIMITED (GB) | 1995-08-23 | — | — | EP | disclosed |
| WO-1994010248-A1 | DYES | ZENECA LIMITED (GB) | 1994-05-11 | — | — | WO | disclosed |