Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.58 |
| ▸ | CA2 | P00918 | 3/20 | 0.58 |
| ▸ | CA9 | Q16790 | 3/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.58 |
| ▸ | CA1 | P00915 | 2/20 | 0.58 |
| ▸ | CA3 | P07451 | 2/20 | 0.58 |
| ▸ | CA4 | P22748 | 2/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 9/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL2424488 | 0.78 | ALDH1A1 (0.53) | CA12CA2CA9CA1TDP1 | |
| Phenol SCHEMBL10627588 | 0.76 | CA12 (0.85) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL8857356 | 0.76 | CA12 (0.85) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL28282960 | 0.76 | — | — | |
| Phenol SCHEMBL11294759 | 0.76 | CA12 (0.85) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL11319397 | 0.76 | CA12 (0.85) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL1736173 | 0.76 | — | — | |
| Phenol SCHEMBL11316144 | 0.76 | CA12 (0.85) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL8986244 | 0.76 | CA12 (0.85) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL3723819 | 0.76 | — | — |
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-104844575-B | 2- 2-pyrimidinyl oxy-N- aryl azepines benzylamine compound, preparation method, herbicide and application | 中国科学院上海有机化学研究所 | 2018-07-13 | — | — | CN | disclosed |
| CN-1902264-B | Novel dendrimers with diphosphonic acid termini, their derivatives, processes for their preparation, and their use | RHODIA CONS SPEC LTD | 2012-07-04 | — | — | CN | disclosed |
| CN-101395734-B | Organic optoelectronic component | NOVALED AG | 2010-06-23 | — | — | CN | disclosed |
| CN-101395734-A | Organic optoelectronic component | NOVALED AG (DE) | 2009-03-25 | — | — | CN | disclosed |
| CN-1902264-A | Novel dendrimers with diphosphonic acid termini, their derivatives, processes for their preparation, and their use | RHODIA CONS SPEC LTD (GB) | 2007-01-24 | — | — | CN | disclosed |