Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | NOS2 | P35228 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13082034 | 1.00 | CYP1A2 (0.54) | CYP1A2HTTLMNAMAPK1NAAA | |
| SCHEMBL10672618 | 0.98 | CYP1A2 (0.52) | CYP1A2HTTLMNAMAPK1NAAA | |
| SCHEMBL10672611 | 0.98 | CYP1A2 (0.52) | CYP1A2HTTLMNAMAPK1NAAA | |
| SCHEMBL10486171 | 0.94 | CYP1A2 (0.48) | CYP1A2HTTLMNAMAPK1NAAA | |
| SCHEMBL10486162 | 0.94 | CYP1A2 (0.48) | CYP1A2HTTLMNAMAPK1NAAA | |
| SCHEMBL10021881 | 0.94 | CYP1A2 (0.48) | CYP1A2HTTLMNAMAPK1NAAA | |
| SCHEMBL11019546 | 0.94 | CYP1A2 (0.48) | CYP1A2HTTLMNAMAPK1NAAA | |
| SCHEMBL10704301 | 0.94 | CYP1A2 (0.48) | CYP1A2HTTLMNAMAPK1NAAA | |
| SCHEMBL12475286 | 0.93 | CYP1A2 (0.46) | CYP1A2HTTLMNAMAPK1NAAA | |
| SCHEMBL8569123 | 0.93 | CYP1A2 (0.46) | CYP1A2HTTLMNAMAPK1NAAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5716543-A | GOOD TEMPERATURE BEHAVIOR OF NEMATIC PHASE; SOLUBILITY | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-02-10 | — | — | US | disclosed |