Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | GBA1 | P04062 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL91785 | 0.93 | MAPT (0.35) | MAPTCYP1A2CYP2C19ALDH1A1KMT2A | |
| SCHEMBL91672 | 0.88 | MAPT (0.34) | MAPTCYP1A2CYP2C19ALDH1A1KMT2A | |
| SCHEMBL91698 | 0.84 | KMT2A (0.35) | MAPTCYP1A2CYP2C19ALDH1A1KMT2A | |
| SCHEMBL91701 | 0.83 | ALDH1A1 (0.35) | MAPTALDH1A1KMT2ALMNAFFAR1 | |
| SCHEMBL91703 | 0.80 | KMT2A (0.33) | MAPTCYP1A2CYP2C19ALDH1A1KMT2A | |
| SCHEMBL91666 | 0.76 | RAPGEF4 (0.34) | MAPTALDH1A1KMT2AMEN1 | |
| SCHEMBL91696 | 0.75 | CYP1A2 (0.33) | MAPTCYP1A2CYP2C19ALDH1A1KMT2A | |
| SCHEMBL91661 | 0.75 | KMT2A (0.39) | MAPTCYP1A2CYP2C19ALDH1A1KMT2A | |
| SCHEMBL17355723 | 0.75 | KMT2A (0.41) | MAPTCYP1A2CYP2C19ALDH1A1KMT2A | |
| SCHEMBL91685 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |