Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.76 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.76 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.76 |
| ▸ | LMNA | P02545 | 4/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.72 |
| ▸ | CA2 | P00918 | 2/20 | 0.72 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.72 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.72 |
| ▸ | TSHR | P16473 | 1/20 | 0.72 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.72 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Benzylhydrochlorothiazide SCHEMBL49671 | 0.86 | ALDH1A1 (1.00) | ALDH1A1CYP1A2L3MBTL1LMNAKDM4E | |
| Benzylhydrochlorothiazide SCHEMBL18314134 | 0.86 | ALDH1A1 (1.00) | ALDH1A1CYP1A2L3MBTL1LMNAKDM4E | |
| Bendroflumetazide SCHEMBL29742733 | 0.85 | ALDH1A1 (0.86) | ALDH1A1CYP1A2L3MBTL1LMNAKDM4E | |
| Bendroflumethiazide SCHEMBL26016 | 0.84 | ALDH1A1 (1.00) | ALDH1A1CYP1A2L3MBTL1LMNAKDM4E | |
| Bendroflumethiazide SCHEMBL44537 | 0.84 | ALDH1A1 (1.00) | ALDH1A1CYP1A2L3MBTL1LMNAKDM4E | |
| Bendroflumethiazide SCHEMBL4427489 | 0.84 | ALDH1A1 (1.00) | ALDH1A1CYP1A2L3MBTL1LMNAKDM4E | |
| Bendroflumethiazide SCHEMBL3359694 | 0.84 | ALDH1A1 (1.00) | ALDH1A1CYP1A2L3MBTL1LMNAKDM4E | |
| SCHEMBL13685848 | 0.83 | ALDH1A1 (0.54) | ALDH1A1CYP1A2L3MBTL1LMNAKDM4E | |
| SCHEMBL13685861 | 0.80 | ALDH1A1 (0.51) | ALDH1A1CYP1A2L3MBTL1LMNAKDM4E | |
| SCHEMBL18309810 | 0.80 | ALDH1A1 (0.80) | ALDH1A1CYP1A2L3MBTL1LMNAKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016201354-A1 | METHODS AND COMPOSITIONS FOR TREATING CANCER | GLOBAVIR BIOSCIENCES, INC. (US) | 2016-12-15 | — | — | WO | disclosed |