Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.63 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.63 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.43 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Anthracene SCHEMBL27569591 | 0.84 | PTPN1 (0.43) | CYP1A2CYP2A6PTPN1LMNAKDM4E | |
| Anthracene SCHEMBL21332717 | 0.84 | PTPN1 (0.43) | CYP1A2CYP2A6PTPN1LMNAKDM4E | |
| Naphthalene SCHEMBL7160995 | 0.84 | ALOX12 (0.42) | CYP2A6PTPN1LMNAKDM4ECES2 | |
| Naphthalene SCHEMBL29233861 | 0.84 | ALOX12 (0.42) | CYP2A6PTPN1LMNAKDM4ECES2 | |
| SCHEMBL18087081 | 0.79 | CYP2A6 (1.00) | CYP1A2CYP2A6KDM4ENPC1CASP3 | |
| SCHEMBL935337 | 0.79 | CYP2A6 (1.00) | CYP1A2CYP2A6KDM4ENPC1CASP3 | |
| SCHEMBL29420986 | 0.79 | CYP2A6 (1.00) | CYP1A2CYP2A6KDM4ENPC1CASP3 | |
| SCHEMBL29937325 | 0.79 | CYP2A6 (1.00) | CYP1A2CYP2A6KDM4ENPC1CASP3 | |
| Formaldehyde SCHEMBL29187704 | 0.78 | CYP2A6 (0.85) | CYP1A2CYP2A6PTPN1LMNAKDM4E | |
| Trifluoromethanesulfonic Acid SCHEMBL2804105 | 0.77 | CYP1A2 (0.63) | CYP1A2CYP2A6LMNAKDM4ENPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107892702-A | Organic electroluminescent material and device | 环球展览公司 | 2018-04-10 | — | — | CN | disclosed |