Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | SCN4A | P35499 | 9/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SCN1A | P35498 | 2/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.41 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.41 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10336028 | 0.76 | KDM4E (0.66) | CYP1A2TSHRLMNACYP3A4CYP2C9 | |
| SCHEMBL437049 | 0.75 | HSP90AA1 (0.50) | CYP1A2CYP2A6TSHRACHESCN4A | |
| Phosphine SCHEMBL21753753 | 0.73 | HSP90AA1 (0.48) | CYP1A2CYP2A6TSHRACHESCN4A | |
| SCHEMBL145464 | 0.73 | ALDH1A1 (0.48) | CYP1A2CYP2A6TSHRACHESCN4A | |
| SCHEMBL2094083 | 0.72 | SCN4A (0.54) | CYP1A2TSHRSCN4ALMNASCN1A | |
| SCHEMBL30686934 | 0.71 | CYP1A2 (0.43) | CYP1A2CYP2A6TSHRACHESCN4A | |
| SCHEMBL1046570 | 0.71 | CYP1A2 (0.43) | CYP1A2CYP2A6TSHRACHESCN4A | |
| SCHEMBL3288767 | 0.71 | CYP1A2 (0.43) | CYP1A2CYP2A6TSHRACHESCN4A | |
| SCHEMBL4821766 | 0.71 | CYP1A2 (0.43) | CYP1A2CYP2A6TSHRACHESCN4A | |
| SCHEMBL8403772 | 0.71 | CYP1A2 (0.43) | CYP1A2CYP2A6TSHRACHESCN4A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012007948-A2 | CYTOTOXIC Ti (IV) COMPOUNDS | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) | 2012-01-19 | — | — | WO | disclosed |
| EP-2055709-A2 | Novel red electroluminescent compounds and organic electroluminescent device using the same | Gracel Display Inc. (KR) | 2009-05-06 | — | — | EP | disclosed |