Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ERCC5 | P28715 | 2/20 | 0.40 |
| ▸ | FEN1 | P39748 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL6915038 | 0.98 | CYP1A2 (0.54) | CYP1A2CYP2A6KMT2AATMTSHR | |
| Zinc Ion SCHEMBL6915644 | 0.96 | CYP1A2 (0.52) | CYP1A2CYP2A6KMT2AATMTSHR | |
| SCHEMBL6909408 | 0.96 | CYP1A2 (0.52) | CYP1A2CYP2A6KMT2AATMTSHR | |
| SCHEMBL6915989 | 0.96 | CYP1A2 (0.52) | CYP1A2CYP2A6KMT2AATMTSHR | |
| SCHEMBL6915198 | 0.96 | CYP1A2 (0.52) | CYP1A2CYP2A6KMT2AATMTSHR | |
| SCHEMBL6912790 | 0.96 | CYP1A2 (0.52) | CYP1A2CYP2A6KMT2AATMTSHR | |
| SCHEMBL6912779 | 0.96 | CYP1A2 (0.52) | CYP1A2CYP2A6KMT2AATMTSHR | |
| Zinc Ion SCHEMBL31514058 | 0.83 | KDM4E (0.50) | KMT2AATMTSHRCES2CES1 | |
| SCHEMBL30570944 | 0.83 | KDM4E (0.50) | KMT2AATMTSHRCES2CES1 | |
| SCHEMBL30570943 | 0.83 | KDM4E (0.50) | KMT2AATMTSHRCES2CES1 |
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-6830704-B2 | Contains a Lewis acid metal salt and a compound having clathrating ability. | TOAGOSEI CO., LTD. (JP) | 2004-12-14 | — | — | US | disclosed |
| US-20030135016-A1 | Contains a Lewis acid metal salt and a compound having clathrating ability. | TOAGOSEI CO., LTD. | 2003-07-17 | — | — | US | disclosed |
| US-6547985-B1 | Adhesive mixture | TOGOSEI CO., LTD. (JP) | 2003-04-15 | — | — | US | disclosed |