Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 2/20 | 0.59 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.58 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.58 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | ESR1 | P03372 | 2/20 | 0.57 |
| ▸ | NQO2 | P16083 | 2/20 | 0.57 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.57 |
| ▸ | AHR | P35869 | 2/20 | 0.57 |
| ▸ | ABL1 | P00519 | 1/20 | 0.57 |
| ▸ | TTR | P02766 | 1/20 | 0.57 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.57 |
| ▸ | BCR | P11274 | 1/20 | 0.57 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.57 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL11526358 | 1.00 | RELA (0.59) | RELATRPA1KDM4ECYP1A1CYP1B1 | |
| SCHEMBL20024711 | 0.94 | RELA (0.53) | RELATRPA1KDM4ECYP1A1CYP1B1 | |
| Anethole SCHEMBL15954631 | 0.91 | LMNA (0.71) | RELATRPA1KDM4ECYP1A1CYP1B1 | |
| Anethole SCHEMBL15954628 | 0.91 | LMNA (0.71) | RELATRPA1KDM4ECYP1A1CYP1B1 | |
| SCHEMBL806380 | 0.90 | PTGS2 (0.49) | RELATRPA1KDM4ECYP1A1CYP1B1 | |
| SCHEMBL17486898 | 0.90 | KDM4E (0.55) | RELATRPA1KDM4ECYP1A1CYP1B1 | |
| SCHEMBL27329 | 0.87 | IDO1 (0.58) | ALOX12CYP3A4TP53TSHRALDH1A1 | |
| SCHEMBL4181089 | 0.87 | IDO1 (0.58) | ALOX12CYP3A4TP53TSHRALDH1A1 | |
| SCHEMBL14665732 | 0.87 | PTGS2 (0.62) | RELATRPA1KDM4ECYP1A1CYP1B1 | |
| SCHEMBL15096130 | 0.87 | CYP1A1 (0.67) | KDM4ECYP1A1CYP1B1PTGS2PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9120984-B2 | Transition metal catalysts for hydrodesulfurization | GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) | 2015-09-01 | — | — | US | disclosed |
| US-20140174989-A1 | TRANSITION METAL CATALYSTS FOR HYDRODESULFURIZATION | GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) | 2014-06-26 | — | — | US | disclosed |
| US-4153719-A | Aromatic diketones | STERLING DRUG INC. (US) | 1979-05-08 | — | — | US | disclosed |