Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | IKBKB | O14920 | 3/20 | 0.46 |
| ▸ | DHODH | Q02127 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | KMO | O15229 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.45 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | JAK3 | P52333 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 SCHEMBL9421865 | 0.97 | LMNA (0.48) | LMNAIKBKBDHODHALDH1A1NPC1 | |
| Biphenyl SCHEMBL11033740 | 0.82 | TSHR (0.53) | MGLLLMNAIKBKBDHODHALDH1A1 | |
| Biphenyl SCHEMBL335359 | 0.81 | ALDH1A1 (0.60) | LMNAIKBKBDHODHALDH1A1KMO | |
| Biphenyl SCHEMBL1952613 | 0.81 | ALDH1A1 (0.60) | LMNAIKBKBDHODHALDH1A1KMO | |
| Biphenyl SCHEMBL473288 | 0.81 | ALDH1A1 (0.60) | LMNAIKBKBDHODHALDH1A1KMO | |
| Biphenyl SCHEMBL4593266 | 0.81 | ALDH1A1 (0.60) | LMNAIKBKBDHODHALDH1A1KMO | |
| Benzene SCHEMBL27729594 | 0.81 | CRBN (0.50) | LMNAALDH1A1BCAT2POLBCYP3A4 | |
| SCHEMBL5317356 | 0.81 | RAB9A (0.62) | LMNAALDH1A1NPC1RAB9ACTDSP1 | |
| SCHEMBL5951312 | 0.80 | HDAC8 (0.66) | DHODHHDAC8ALDH1A1KMOPOLB | |
| Naphthalene SCHEMBL3369808 | 0.79 | GAA (0.50) | ALDH1A1POLBCYP3A4PARP1MAPT |
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-107619409-B | Join Azulene diimide derivative, preparation method and application | 中国科学院上海有机化学研究所 | 2019-10-22 | — | — | CN | claimed |
| CN-107619409-A | Join Azulene diimide derivative, its preparation method and application | 中国科学院上海有机化学研究所 | 2018-01-23 | — | — | CN | claimed |
| CN-107619409-B | Join Azulene diimide derivative, preparation method and application | 中国科学院上海有机化学研究所 | 2019-10-22 | — | — | CN | disclosed |
| CN-107619409-A | Join Azulene diimide derivative, its preparation method and application | 中国科学院上海有机化学研究所 | 2018-01-23 | — | — | CN | disclosed |