Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | USP2 | O75604 | 2/20 | 0.44 |
| ▸ | FABP3 | P05413 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | POLL | Q9UGP5 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | PTPRC | P08575 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | EDNRB | P24530 | 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 | |
|---|---|---|---|---|
| SCHEMBL29475777 | 0.78 | RAB9A (0.55) | CYP19A1CYP2D6KMT2AGAARAB9A | |
| SCHEMBL29475773 | 0.78 | CYP2D6 (0.49) | CYP2D6MEN1KMT2AACHEL3MBTL1 | |
| SCHEMBL29475772 | 0.74 | CYP2D6 (0.51) | CYP19A1CYP2D6MEN1KMT2AL3MBTL1 | |
| SCHEMBL14939263 | 0.74 | RAB9A (0.57) | CYP19A1MEN1KMT2AUSP2ACHE | |
| SCHEMBL27723842 | 0.72 | MAPT (0.51) | CYP19A1CYP2D6MEN1KMT2AKDM4E | |
| SCHEMBL29475779 | 0.72 | MEN1 (0.51) | CYP19A1CYP2D6MEN1KMT2AKDM4E | |
| SCHEMBL24516517 | 0.72 | MEN1 (0.45) | CYP19A1MEN1KMT2AUSP2GAA | |
| SCHEMBL3994733 | 0.70 | CYP2D6 (0.55) | CYP2D6MEN1KMT2AKDM4EMAPT | |
| SCHEMBL15449470 | 0.68 | MEN1 (0.46) | CYP2D6MEN1KMT2AKDM4ERAB9A | |
| SCHEMBL11673444 | 0.67 | CA12 (0.50) | CYP19A1MEN1KMT2AUSP2FABP3 |
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-112574014-B | Method for synthesizing chiral beta-hydroxy ketone by palladium-catalyzed asymmetric reduction | 中国科学院大连化学物理研究所 | 2022-03-11 | — | — | CN | disclosed |