Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SLC22A2 | O15244 | 2/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.34 |
| ▸ | SLC22A3 | O75751 | 2/20 | 0.34 |
| ▸ | PLAU | P00749 | 2/20 | 0.34 |
| ▸ | GLB1 | P16278 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL93221 | 0.89 | CYP3A4 (0.56) | CYP3A4TSHRMAPK1TDP1NPC1 | |
| SCHEMBL93163 | 0.89 | CYP3A4 (0.56) | CYP3A4TSHRMAPK1TDP1MAPT | |
| SCHEMBL5862066 | 0.83 | CYP3A4 (0.50) | CYP3A4TSHRMAPK1TDP1NPC1 | |
| Fluorobenzene SCHEMBL2828466 | 0.81 | CYP3A4 (0.48) | CYP3A4TSHRMAPK1TDP1NPC1 | |
| Methylene Chloride SCHEMBL28101789 | 0.81 | CYP3A4 (0.54) | CYP3A4TSHRMAPK1TDP1MAPT | |
| SCHEMBL8093595 | 0.79 | TDP1 (0.48) | CYP3A4TSHRMAPK1TDP1NPC1 | |
| SCHEMBL11025348 | 0.78 | MAPT (0.47) | CYP3A4TSHRMAPK1TDP1LMNA | |
| SCHEMBL15430 | 0.76 | CYP3A4 (0.70) | CYP3A4TSHRMAPK1TDP1TRPA1 | |
| SCHEMBL8942928 | 0.75 | NPC1 (0.45) | CYP3A4TSHRMAPK1TDP1NPC1 | |
| Ether SCHEMBL596696 | 0.75 | CYP3A4 (0.47) | CYP3A4TSHRMAPK1TDP1RAB9A |
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-1189891-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | disclosed |
| WO-1998057173-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PHENYLALANINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-12-17 | — | — | WO | disclosed |