Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 6/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CDC25A | P30304 | 1/20 | 0.42 |
| ▸ | CDC25B | P30305 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27546363 | 0.88 | KDM4E (0.55) | ALDH1A1KDM4ENR1H4PTPN1HSD17B10 | |
| SCHEMBL69633 | 0.86 | TSHR (0.53) | ALDH1A1KDM4ENR1H4PTPN1HSD17B10 | |
| Biphenyl SCHEMBL27658037 | 0.84 | KMO (0.53) | ALDH1A1KDM4ENR1H4HSD17B10MEN1 | |
| Naphthalene SCHEMBL27658434 | 0.84 | KDM4E (0.53) | ALDH1A1KDM4ENR1H4PTPN1HSD17B10 | |
| Hydrochloric Acid SCHEMBL10448118 | 0.84 | TSHR (0.52) | ALDH1A1KDM4ENR1H4PTPN1HSD17B10 | |
| Bicarbonate SCHEMBL27496907 | 0.84 | TSHR (0.52) | ALDH1A1KDM4ENR1H4PTPN1HSD17B10 | |
| SCHEMBL11664352 | 0.84 | TSHR (0.52) | ALDH1A1KDM4ENR1H4HSD17B10MEN1 | |
| SCHEMBL28858438 | 0.84 | TSHR (0.52) | ALDH1A1KDM4ENR1H4PTPN1HSD17B10 | |
| Hydrochloric Acid SCHEMBL16610510 | 0.84 | TSHR (0.52) | ALDH1A1KDM4ENR1H4PTPN1HSD17B10 | |
| Ammonia Solution, Strong SCHEMBL27537561 | 0.84 | TSHR (0.52) | ALDH1A1KDM4ENR1H4PTPN1HSD17B10 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1930162-B | Tetrahydropyridoindole derivatives | ACTELION PHARMACEUTICALS LTD | 2010-06-16 | — | — | CN | claimed |
| CN-1930162-A | Tetrahydropyridoindole derivatives | ACTELION PHARMACEUTICALS LTD (CH) | 2007-03-14 | — | — | CN | claimed |
| CN-104114169-A | Combination of CRTH2 antagonist and a proton pump inhibitor for the treatment of eosinophilic esophagitis | ATOPIX THERAPEUTICS LTD | 2014-10-22 | — | — | CN | disclosed |
| CN-1930162-B | Tetrahydropyridoindole derivatives | ACTELION PHARMACEUTICALS LTD | 2010-06-16 | — | — | CN | disclosed |
| CN-1930162-A | Tetrahydropyridoindole derivatives | ACTELION PHARMACEUTICALS LTD (CH) | 2007-03-14 | — | — | CN | disclosed |