Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | ACR | P10323 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | LSS | P48449 | 4/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL9256549 | 0.88 | ADRB2 (0.45) | MAOAMAOBMAPTNPC1SMN1; SMN2 | |
| SCHEMBL13806837 | 0.86 | L3MBTL1 (0.59) | ALDH1A1L3MBTL1MAPTKMT2APRSS1 | |
| SCHEMBL9166129 | 0.86 | ALDH1A1 (0.43) | ALDH1A1L3MBTL1MAPTKMT2APRSS1 | |
| SCHEMBL9251880 | 0.85 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1MAOBMAPTKMT2A | |
| SCHEMBL9253145 | 0.82 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1MAPTKMT2APRSS1 | |
| SCHEMBL9256674 | 0.82 | L3MBTL1 (0.41) | ALDH1A1L3MBTL1MAOAMAOBMAPT | |
| SCHEMBL8913028 | 0.81 | L3MBTL1 (0.61) | ALDH1A1L3MBTL1MAPTKMT2APRSS1 | |
| SCHEMBL9514657 | 0.80 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1MAPTKMT2ANPC1 | |
| SCHEMBL10429638 | 0.80 | ALDH1A1 (0.51) | ALDH1A1L3MBTL1MAPTKMT2APRSS1 | |
| SCHEMBL20628415 | 0.80 | LMNA (0.60) | ALDH1A1L3MBTL1MAPTKMT2APRSS1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5454974-A | Halobenzene liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1995-10-03 | — | — | US | disclosed |
| US-5302317-A | Halobenzene liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1994-04-12 | — | — | US | disclosed |
| US-5230826-A | HALOBENZENE LIQUID CRYSTALS | HOFFMANN-LA ROCHE INC. (US) | 1993-07-27 | — | — | US | disclosed |
| US-5013477-A | Alkenylbicyclohexane liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1991-05-07 | — | — | US | disclosed |