Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 3/20 | 0.39 |
| ▸ | GCGR | P47871 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29048667 | 0.99 | CYP2D6 (0.41) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29048616 | 0.98 | CYP2D6 (0.44) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29048663 | 0.94 | RAB9A (0.41) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29048681 | 0.93 | KDM4E (0.41) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29048630 | 0.90 | MAPT (0.44) | CYP2D6CYP3A4PTPN11GCGRMAPT | |
| SCHEMBL29048650 | 0.89 | MAPT (0.43) | PTPN11MAPTRAB9AKDM4EL3MBTL1 | |
| SCHEMBL29048624 | 0.89 | MAPT (0.40) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29048669 | 0.87 | MAPT (0.39) | CYP19A1MAPTRAB9AKDM4ENPC1 | |
| SCHEMBL29048636 | 0.87 | DYRK1A (0.47) | MAPTRAB9AKDM4ENPC1L3MBTL1 | |
| SCHEMBL29048637 | 0.86 | KDM4E (0.38) | CYP19A1MAPTRAB9AKDM4ENPC1 |
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-110446770-B | Reversible thermochromic composition and reversible thermochromic microcapsule pigment containing the same | 百乐墨水株式会社 | 2023-08-08 | — | — | CN | disclosed |