Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 4/20 | 0.68 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.54 |
| ▸ | ACHE | P22303 | 3/20 | 0.54 |
| ▸ | ESR1 | P03372 | 2/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.54 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.54 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.54 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | PDE5A | O76074 | 1/20 | 0.54 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.54 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.51 |
| ▸ | RECQL | P46063 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7052282 | 1.00 | PTPN1 (0.68) | PTPN1ABCG2ACHEESR1ESR2 | |
| Neophellamuretin SCHEMBL27013455 | 0.88 | ABCG2 (0.66) | PTPN1ABCG2ACHEESR1ESR2 | |
| Neophellamuretin SCHEMBL30766255 | 0.88 | ABCG2 (0.66) | PTPN1ABCG2ACHEESR1ESR2 | |
| SCHEMBL27013508 | 0.87 | ACHE (0.67) | PTPN1ABCG2ACHEESR1ESR2 | |
| SCHEMBL30819254 | 0.86 | PTPN1 (0.66) | PTPN1CYP1A1CYP1B1CYP19A1MEN1 | |
| Lespedezaflavanone B SCHEMBL27013477 | 0.81 | PTPN1 (1.00) | PTPN1ABCG2ACHEESR1ESR2 | |
| Lespedezaflavanone B SCHEMBL1171210 | 0.81 | PTPN1 (1.00) | PTPN1ABCG2ACHEESR1ESR2 | |
| Lespedezaflavanone B SCHEMBL29624618 | 0.81 | PTPN1 (1.00) | PTPN1ABCG2ACHEESR1ESR2 | |
| Petalostemumol SCHEMBL29594794 | 0.81 | ACHE (0.49) | PTPN1ABCG2ACHEESR1ESR2 | |
| SCHEMBL27006405 | 0.77 | ESR1 (0.68) | ABCG2ACHEESR1ESR2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024189607-A1 | METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT | DIDENKO KIRILL (MX) | 2024-09-19 | — | — | WO | disclosed |