Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | TLR4 | O00206 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | DNTT | P04053 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL15203928 | 0.99 | CYP1A2 (0.38) | CYP1A2TLR4MEN1KMT2ACHRM2 | |
| SCHEMBL15203927 | 0.99 | CYP1A2 (0.38) | CYP1A2TLR4MEN1KMT2ACHRM2 | |
| SCHEMBL10021854 | 0.94 | TLR4 (0.39) | CYP1A2TLR4MEN1KMT2ACHRM2 | |
| SCHEMBL15203854 | 0.94 | TLR4 (0.39) | CYP1A2TLR4MEN1KMT2ACHRM2 | |
| SCHEMBL10022182 | 0.89 | TLR4 (0.44) | TLR4MEN1KMT2AMAPTCYP2C9 | |
| SCHEMBL15203851 | 0.89 | TLR4 (0.44) | TLR4MEN1KMT2AMAPTCYP2C9 | |
| SCHEMBL15220807 | 0.88 | TLR4 (0.46) | TLR4MAPTCYP2C9 | |
| SCHEMBL31473483 | 0.83 | TLR4 (0.31) | TLR4 | |
| SCHEMBL15204056 | 0.81 | TLR4 (0.33) | TLR4 | |
| SCHEMBL10022011 | 0.81 | TLR4 (0.33) | TLR4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0571652-B1 | Liquid crystalline substituted dihydrobenzene derivatives | CITIZEN WATCH CO LTD (JP) | 1998-08-05 | — | — | EP | disclosed |
| US-5342546-A | Liquid crystal compositions | L.C.C. CONSULTANTS CO., LTD. (JP) | 1994-08-30 | — | — | US | disclosed |
| EP-0571652-A1 | Liquid crystalline substituted dihydrobenzene derivatives | L.C.C. CONSULTANTS CO., LTD. (JP) | 1993-12-01 | — | — | EP | disclosed |