Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 10/20 | 0.51 |
| ▸ | NPC1 | O15118 | 7/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.51 |
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2671959 | 0.94 | CYP2D6 (0.50) | RAB9ANPC1SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL4754949 | 0.90 | CYP2D6 (0.46) | RAB9ANPC1SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL18417228 | 0.86 | CYP3A4 (0.43) | RAB9ANPC1SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL18418548 | 0.84 | CHEK1 (0.43) | RAB9ANPC1SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL18418540 | 0.83 | APP (0.37) | RAB9ANPC1SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL17197486 | 0.83 | ALDH1A1 (0.44) | RAB9ANPC1SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL17831001 | 0.83 | CYP3A4 (0.46) | RAB9ANPC1SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL20647418 | 0.83 | CYP2D6 (0.40) | RAB9ANPC1SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL20806064 | 0.82 | NR1H4 (0.42) | RAB9ANPC1SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL16265238 | 0.80 | CYP3A4 (0.36) | RAB9ANPC1SMN1; SMN2MAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3458549-B1 | LIQUID-CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2020-07-22 | — | — | EP | disclosed |
| EP-3400271-B1 | LIQUID-CRYSTALLINE MIXTURES | MERCK PATENT GMBH (DE) | 2020-07-22 | — | — | EP | disclosed |