Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.57 |
| ▸ | CES2 | O00748 | 3/20 | 0.50 |
| ▸ | CES1 | P23141 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Chlorobenzene SCHEMBL11165835 | 0.84 | TSHR (0.65) | LMNACYP2A6CES2CES1TSHR | |
| Chlorobenzene SCHEMBL27912438 | 0.82 | TSHR (0.61) | LMNACYP2A6CES2CES1TSHR | |
| SCHEMBL15304564 | 0.82 | LMNA (0.44) | LMNACYP2A6CES2CES1TSHR | |
| Phosphonic Acid SCHEMBL4101704 | 0.82 | CA1 (0.45) | CA1CA2ALDH1A1IDO1GSK3B | |
| Phosphonic Acid SCHEMBL11530938 | 0.80 | MAOB (0.52) | IDO1 | |
| 1,4-Dichlorobenzene SCHEMBL11243685 | 0.76 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL5191 | 0.76 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL28270431 | 0.74 | TSHR (0.67) | LMNACYP2A6CES2CES1TSHR | |
| SCHEMBL1304995 | 0.73 | LMNA (0.50) | LMNACYP2A6CES2CES1TSHR | |
| 1,4-Dichlorobenzene SCHEMBL27848281 | 0.72 | LMNA (0.73) | LMNACYP2A6CES2CES1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-1022244-C | Tetrazole excitatory amino acid receptor antagonists | LILLY CO ELI (US) | 1993-09-29 | — | — | CN | disclosed |
| CN-1035114-A | TETRAZOLE EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 1989-08-30 | — | — | CN | disclosed |