Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | ACR | P10323 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | GPR88 | Q9GZN0 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9711884 | 1.00 | CYP2C9 (0.53) | CYP2C9MAPTLMNAALDH1A1KMT2A | |
| SCHEMBL9711900 | 0.93 | CYP2C9 (0.45) | CYP2C9MAPTLMNAALDH1A1KMT2A | |
| SCHEMBL9711909 | 0.93 | CYP2C9 (0.45) | CYP2C9MAPTLMNAALDH1A1KMT2A | |
| SCHEMBL9711638 | 0.90 | CYP2C9 (0.52) | CYP2C9MAPTLMNAALDH1A1KMT2A | |
| SCHEMBL9711641 | 0.90 | CYP2C9 (0.52) | CYP2C9MAPTLMNAALDH1A1KMT2A | |
| SCHEMBL9712029 | 0.89 | PARP15 (0.47) | CYP2C9MAPTLMNAKMT2AFFAR1 | |
| SCHEMBL9712023 | 0.89 | PARP15 (0.47) | CYP2C9MAPTLMNAKMT2AFFAR1 | |
| SCHEMBL10938649 | 0.89 | CYP2C9 (0.66) | CYP2C9MAPTLMNAALDH1A1KMT2A | |
| SCHEMBL10898816 | 0.89 | CYP2C9 (0.66) | CYP2C9MAPTLMNAALDH1A1KMT2A | |
| SCHEMBL11128931 | 0.88 | CYP2C9 (0.52) | CYP2C9MAPTLMNAALDH1A1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5082589-A | Liquid crystalline esters | HOFFMANN-LA ROCHE INC. (US) | 1992-01-21 | — | — | US | disclosed |
| US-4925278-A | Liquid crystalline esters | HOFFMANN-LA ROCHE INC. (US) | 1990-05-15 | — | — | US | disclosed |
| US-4830470-A | Liquid crystalline esters | HOFFMANN-LA ROCHE INC. (US) | 1989-05-16 | — | — | US | disclosed |