Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.36 |
| ▸ | IGLV6-57 | P01721 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | TERT | O14746 | 1/20 | 0.31 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.30 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.30 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | GFER | P55789 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21477269 | 0.84 | ALDH1A1 (0.36) | ALDH1A1CYP3A4TSHRMTNR1AMTNR1B | |
| SCHEMBL11638767 | 0.83 | ALDH1A1 (0.61) | ALDH1A1CYP3A4HDAC4MEF2DTSHR | |
| SCHEMBL487064 | 0.78 | ALDH1A1 (0.54) | ALDH1A1TSHRTERTMAPK1GFER | |
| Potassium Ion SCHEMBL11691029 | 0.78 | ALDH1A1 (0.37) | ALDH1A1CYP3A4HDAC4MEF2DIGLV6-57 | |
| SCHEMBL9889004 | 0.77 | ACHE (0.46) | ALDH1A1CYP3A4IGLV6-57TSHRSIGMAR1 | |
| SCHEMBL4978623 | 0.77 | ALDH1A1 (0.39) | ALDH1A1CYP3A4HDAC4MEF2DIGLV6-57 | |
| SCHEMBL30659513 | 0.77 | ACHE (0.46) | ALDH1A1CYP3A4IGLV6-57TSHRSIGMAR1 | |
| SCHEMBL2091963 | 0.75 | ALDH1A1 (0.38) | ALDH1A1CYP3A4HDAC4MEF2DIGLV6-57 | |
| SCHEMBL4972868 | 0.75 | IGLV6-57 (0.39) | ALDH1A1CYP3A4HDAC4MEF2DIGLV6-57 | |
| SCHEMBL3110687 | 0.75 | CYP3A4 (0.44) | ALDH1A1CYP3A4IGLV6-57TSHRADRA2A |
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-112218878-A | NTCP inhibitors | 北京生命科学研究所 | 2021-01-12 | — | — | CN | disclosed |
| WO-2020215267-A1 | USE OF NTCP INHIBITORS IN PREVENTING AND TREATING HEPATOCARCINOGENESIS | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2020-10-29 | — | — | WO | disclosed |
| US-7332261-B2 | Phthalocyanine compound, process for preparing the same, and optical recording medium containing the same | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2008-02-19 | — | — | US | disclosed |
| EP-1482013-B1 | PHTHALOCYANINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND OPTICAL RECORDING MEDIUM CONTAINING THE SAME | CIBA SC HOLDING AG (CH) | 2007-07-18 | — | — | EP | disclosed |
| US-20050201265-A1 | Phthalocyanine compound, process for producing the same, and optical recording medium containing the same | MITSUI CHEMICALS, INC. (JP) | 2005-09-15 | — | — | US | disclosed |
| EP-1482013-A1 | PHTHALOCYANINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND OPTICAL RECORDING MEDIUM CONTAINING THE SAME | MITSUI CHEMICALS, INC. (JP) | 2004-12-01 | — | — | EP | disclosed |