Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | HRH2 | P25021 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL9190368 | 1.00 | CYP1A2 (0.47) | CYP1A2MAPTPOLBHPGDLMNA | |
| SCHEMBL9196253 | 0.95 | CYP1A2 (0.42) | CYP1A2MAPTPOLBHPGDLMNA | |
| SCHEMBL9196260 | 0.95 | CYP1A2 (0.42) | CYP1A2MAPTPOLBHPGDLMNA | |
| SCHEMBL9192386 | 0.94 | TP53 (0.42) | CYP1A2MAPTLMNAHTTCYP3A4 | |
| SCHEMBL9195799 | 0.94 | TP53 (0.42) | CYP1A2MAPTLMNAHTTCYP3A4 | |
| SCHEMBL9193698 | 0.94 | TP53 (0.42) | CYP1A2MAPTLMNAHTTCYP3A4 | |
| SCHEMBL9192391 | 0.94 | TP53 (0.42) | CYP1A2MAPTLMNAHTTCYP3A4 | |
| SCHEMBL9191773 | 0.94 | TP53 (0.42) | CYP1A2MAPTLMNAHTTCYP3A4 | |
| SCHEMBL9190396 | 0.94 | TP53 (0.42) | CYP1A2MAPTLMNAHTTCYP3A4 | |
| SCHEMBL9193664 | 0.94 | TP53 (0.42) | CYP1A2MAPTLMNAHTTCYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0394906-B1 | Liquid crystalline composition | MERCK PATENT GMBH (DE) | 1995-12-20 | — | — | EP | disclosed |