Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPRC | P08575 | 1/20 | 0.49 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.48 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27902605 | 0.98 | PTPRC (0.48) | PTPRCTRPA1CA12CA9CA1 | |
| SCHEMBL8766396 | 0.87 | CA1 (0.47) | PTPRCTRPA1CA12CA9CA1 | |
| SCHEMBL353767 | 0.84 | PTPRC (0.47) | PTPRCTRPA1CA12CA9CA1 | |
| SCHEMBL1478300 | 0.83 | TRPA1 (0.33) | PTPRCTRPA1ALDH1A1 | |
| SCHEMBL28757905 | 0.83 | CA12 (0.51) | TRPA1CA12CA9CA1CA2 | |
| SCHEMBL11887310 | 0.83 | GABRA1 (0.41) | PTPRCTRPA1CA12CA9CA1 | |
| SCHEMBL23100767 | 0.81 | RAB9A (0.52) | MAPTALDH1A1KDM4EHPGDLMNA | |
| SCHEMBL22599553 | 0.81 | KMT2A (0.44) | TRPA1MAPTALDH1A1KDM4EHPGD | |
| SCHEMBL23529899 | 0.80 | PTPRC (0.60) | PTPRCTRPA1CA12CA9CA1 | |
| SCHEMBL484995 | 0.79 | ALDH1A1 (0.48) | CA12CA9CA1CA2CA7 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114907389-A | Boronic acid derivatives | 首药控股(北京)股份有限公司 | 2022-08-16 | — | — | CN | disclosed |
| EP-2619178-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2013-07-31 | — | — | EP | disclosed |
| CN-103097354-A | Substituted benzamide compounds | GRUENENTHAL CHEMIE | 2013-05-08 | — | — | CN | disclosed |
| WO-2012038081-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2012-03-29 | — | — | WO | disclosed |
| EP-0505972-B1 | Process for producing styrenic copolymer | IDEMITSU KOSAN CO (JP) | 1997-06-11 | — | — | EP | disclosed |
| EP-0505972-A2 | Process for producing styrenic copolymer | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1992-09-30 | — | — | EP | disclosed |