Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.45 |
| ▸ | DHODH | Q02127 | 1/20 | 0.45 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL121970 | 0.91 | RAB9A (0.50) | CYP2A6HDAC4DHODHNOTUMGABRA1 | |
| SCHEMBL29959678 | 0.91 | RAB9A (0.50) | CYP2A6HDAC4DHODHNOTUMGABRA1 | |
| Hydrochloric Acid SCHEMBL28994315 | 0.89 | HDAC4 (0.49) | CYP2A6HDAC4DHODHNOTUMGABRA1 | |
| SCHEMBL28485342 | 0.89 | HDAC4 (0.49) | CYP2A6HDAC4DHODHNOTUMGABRA1 | |
| Water SCHEMBL11877808 | 0.89 | HDAC4 (0.49) | CYP2A6HDAC4DHODHNOTUMGABRA1 | |
| Hydrochloric Acid SCHEMBL9513928 | 0.89 | HDAC4 (0.49) | CYP2A6HDAC4DHODHNOTUMGABRA1 | |
| SCHEMBL13458062 | 0.87 | GABRA1 (0.52) | HDAC4DHODHNOTUMGABRA1GABRG2 | |
| SCHEMBL1456246 | 0.85 | MAPT (0.46) | HDAC4DHODHNOTUMGABRA1GABRG2 | |
| SCHEMBL4701329 | 0.81 | CYP2A6 (0.59) | CYP2A6RAB9ACYP19A1ALDH1A1KDM4E | |
| Ether SCHEMBL11877801 | 0.77 | RAB9A (0.46) | HDAC4DHODHGABRA1GABRG2GABRB3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109970806-A | A kind of organic metal complex of iridium, preparation method and its application in OLED | 江苏三月光电科技有限公司 | 2019-07-05 | — | — | CN | disclosed |