Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NAAA | Q02083 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | PPARG | P37231 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 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 | |
|---|---|---|---|---|
| SCHEMBL14926596 | 0.96 | ALDH1A1 (0.47) | ALDH1A1MEN1HTTKMT2ATP53 | |
| SCHEMBL10846172 | 0.95 | HTT (0.47) | MEN1HTTKMT2ATP53PKM | |
| SCHEMBL14926599 | 0.95 | ALDH1A1 (0.49) | ALDH1A1MEN1HTTKMT2ATP53 | |
| SCHEMBL10846176 | 0.95 | HTT (0.47) | MEN1HTTKMT2ATP53PKM | |
| SCHEMBL10073635 | 0.95 | HTT (0.47) | MEN1HTTKMT2ATP53PKM | |
| SCHEMBL10844371 | 0.93 | PKM (0.46) | MEN1HTTKMT2ATP53PKM | |
| SCHEMBL10844365 | 0.93 | PKM (0.46) | MEN1HTTKMT2ATP53PKM | |
| SCHEMBL14926584 | 0.92 | ALDH1A1 (0.49) | ALDH1A1MEN1HTTKMT2ATP53 | |
| SCHEMBL10844896 | 0.90 | MAPT (0.46) | MEN1HTTKMT2ATP53PKM | |
| SCHEMBL14926586 | 0.90 | ALDH1A1 (0.46) | ALDH1A1MEN1HTTKMT2ATP53 |
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-20180142152-A1 | COMPOUNDS FOR THE HOMEOTROPIC ALIGNMENT OF LIQUID-CRYSTALLINE MEDIA | MERCK PATENT GMBH (DE) | 2018-05-24 | — | — | US | disclosed |