Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28849545 | 0.95 | EPHX1 (0.56) | AKR1C3AKR1C1EPHX1NPC1RAB9A | |
| SCHEMBL28171767 | 0.94 | EPHX1 (0.59) | AKR1C3AKR1C1EPHX1NPC1RAB9A | |
| SCHEMBL2772225 | 0.83 | KCNH2 (0.46) | AKR1C3AKR1C1NPC1RAB9AKDM4E | |
| Carbamic Acid SCHEMBL9679981 | 0.82 | AKR1C3 (0.59) | AKR1C3AKR1C1NPC1RAB9AKDM4E | |
| SCHEMBL28171776 | 0.81 | KCNH2 (0.44) | AKR1C3AKR1C1NPC1RAB9AKDM4E | |
| SCHEMBL28849536 | 0.79 | ALDH1A1 (0.44) | EPHX1KDM4ECA1CA2ALDH1A1 | |
| SCHEMBL12733110 | 0.79 | GRM1 (0.47) | AKR1C3AKR1C1NPC1RAB9AKDM4E | |
| Bicarbonate SCHEMBL7573346 | 0.78 | AKR1C3 (0.63) | AKR1C3AKR1C1NPC1RAB9AKDM4E | |
| Bicarbonate SCHEMBL1720488 | 0.78 | AKR1C3 (0.63) | AKR1C3AKR1C1NPC1RAB9AKDM4E | |
| SCHEMBL16536688 | 0.76 | AKR1C3 (0.61) | AKR1C3AKR1C1NPC1RAB9AKDM4E |
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-107205970-A | Immunomodulator | 弗莱塞斯生物科学公司 | 2017-09-26 | — | — | CN | disclosed |