Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ACP3 | P15309 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11366815 | 0.78 | HSPA5 (0.33) | CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL3047898 | 0.74 | CYP1A2 (0.62) | CYP1A2CYP2C19CYP2C9CYP2D6TDP1 | |
| SCHEMBL29490353 | 0.74 | CYP2C19 (0.62) | CYP1A2CYP2C19CYP2C9CYP2D6TDP1 | |
| SCHEMBL599659 | 0.74 | CYP2C19 (0.62) | CYP1A2CYP2C19CYP2C9CYP2D6TDP1 | |
| SCHEMBL9456743 | 0.73 | CYP1A2 (1.00) | CYP1A2CYP2C19CYP2C9CYP2D6TDP1 | |
| SCHEMBL855419 | 0.72 | LOXL2 (0.42) | CYP2A6 | |
| SCHEMBL659517 | 0.72 | CYP2C19 (0.60) | CYP1A2CYP2C19CYP2C9CYP2D6TDP1 | |
| SCHEMBL4667060 | 0.72 | CYP2C19 (0.60) | CYP1A2CYP2C19CYP2C9CYP2D6TDP1 | |
| SCHEMBL5352914 | 0.72 | CYP1A2 (0.61) | CYP1A2CYP2C19CYP2C9CYP2D6TDP1 | |
| SCHEMBL20916948 | 0.72 | CYP1A2 (0.60) | CYP1A2CYP2C19CYP2C9CYP2D6TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116615423-A | Novel peptidomimetic compounds and design | 株式会社大分大学先端医学研究所 | 2023-08-18 | — | — | CN | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| WO-2022124341-A1 | NOVEL PEPTIDOMIMETIC COMPOUND AND DESIGN | 株式会社大分大学先端医学研究所 | 2022-06-16 | — | — | WO | disclosed |