Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.45 |
| ▸ | WNT3A | P56704 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL27725887 | 0.93 | ABCG2 (0.50) | ABCG2NPC1RAB9APKMTSHR | |
| Acetic Acid SCHEMBL28137167 | 0.80 | ABCG2 (0.67) | ABCG2NPC1RAB9APKMTSHR | |
| Bicarbonate SCHEMBL8542900 | 0.80 | ABCG2 (0.74) | ABCG2NPC1RAB9APKMTSHR | |
| Ethylamine SCHEMBL29145969 | 0.78 | ABCG2 (0.70) | ABCG2PKMTSHRSMN1; SMN2HTT | |
| Bromoethane SCHEMBL8098630 | 0.78 | ABCG2 (0.70) | ABCG2PKMTSHRCTNNB1WNT3A | |
| SCHEMBL14665119 | 0.77 | MTNR1A (0.46) | PKMSMN1; SMN2GAAHPGDHTT | |
| Glycolic Acid SCHEMBL28363241 | 0.77 | ABCG2 (0.61) | ABCG2NPC1RAB9APKMTSHR | |
| SCHEMBL14417491 | 0.76 | ABCG2 (1.00) | ABCG2PKMTSHRSMN1; SMN2HPGD | |
| SCHEMBL29353984 | 0.76 | — | — | |
| SCHEMBL4424499 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101679400-B | Novel carbamoyloxy aryl alkan arylpiperazine compound, pharmaceutical compositions comprising the compound and method for treating pain, anxiety and depression by administering the compound | SK HOLDINGS CO LTD | 2013-04-17 | — | — | CN | disclosed |
| CN-101679400-A | Novel carbamoyloxy aryl alkan arylpiperazine compound, pharmaceutical compositions comprising the compound and method for treating pain, anxiety and depression by administering the compound | SK HOLDINGS CO LTD | 2010-03-24 | — | — | CN | disclosed |
| CN-1325469-C | Hydrazone compound, electrophotographic photoreceptor comprising the hydrazone compound, and image forming apparatus equipped with the electrophotographic photoreceptor | SHARP KK (JP) | 2007-07-11 | — | — | CN | disclosed |
| CN-1746153-A | Hydrazone compound, electrophotographic photoreceptor comprising the hydrazone compound, and image forming apparatus equipped with the electrophotographic photoreceptor | SHARP KK (JP) | 2006-03-15 | — | — | CN | disclosed |