Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 7/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HGFAC | Q04756 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL91782 | 0.89 | KMT2A (0.41) | KMT2AESR1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL91760 | 0.81 | KMT2A (0.34) | KMT2AESR1GBA1CYP1A2CYP2C9 | |
| SCHEMBL91814 | 0.80 | CYP1A2 (0.33) | KMT2ACYP1A2MAPTCYP2C19 | |
| SCHEMBL91720 | 0.78 | KMT2A (0.39) | KMT2AESR1GBA1CYP1A2CYP2C9 | |
| SCHEMBL10018718 | 0.77 | KMT2A (0.55) | KMT2AESR1GBA1CYP1A2CYP2C9 | |
| SCHEMBL91745 | 0.76 | KMT2A (0.37) | KMT2AESR1GBA1CYP1A2NPC1 | |
| SCHEMBL14075270 | 0.76 | RXRA (0.40) | ESR1CYP19A1CYP11B1CYP11B2NPC1 | |
| SCHEMBL91694 | 0.76 | ESR1 (0.43) | ESR1ESR2 | |
| SCHEMBL91751 | 0.73 | KMT2A (0.35) | KMT2AESR1GBA1CYP1A2NPC1 | |
| SCHEMBL11911604 | 0.73 | TP53 (0.44) | KMT2ACYP1A2CYP2C9NPC1MEN1 |
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 2 patents. 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 |
| US-7419706-B2 | Liquid crystalline medium | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2008-09-02 | — | — | US | disclosed |