Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DDR1 | Q08345 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29067015 | 0.88 | CCR5 (0.53) | CCR5MEN1KMT2ACYP2A13SIGMAR1 | |
| SCHEMBL3175046 | 0.79 | ALDH1A1 (0.60) | NOS3NOS1NOS2SIGMAR1ALDH1A1 | |
| SCHEMBL3175715 | 0.79 | CYP2A13 (0.67) | CCR5CYP2A13ALDH1A1TSHRKDM4E | |
| SCHEMBL10122938 | 0.78 | CXCR3 (0.56) | CCR5CYP2A13KDM4E | |
| SCHEMBL1497101 | 0.77 | CYP2A13 (0.62) | MEN1KMT2ACYP2A13ALDH1A1TSHR | |
| SCHEMBL3262200 | 0.77 | HRH3 (0.52) | MEN1KMT2AALDH1A1DDR1KDM4E | |
| SCHEMBL3173860 | 0.76 | DDR1 (0.51) | NOS3NOS1NOS2SIGMAR1ALDH1A1 | |
| SCHEMBL3169070 | 0.76 | KMT2A (0.48) | KMT2ANOS3NOS1NOS2TSHR | |
| SCHEMBL29067016 | 0.75 | CCR5 (0.60) | CCR5ALDH1A1TSHRPOLBKDM4E | |
| SCHEMBL941871 | 0.74 | KDM4E (0.62) | CCR5MEN1KMT2ASIGMAR1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115232068-B | Compound and preparation method and application thereof | 北京中医药大学 | 2023-09-08 | — | — | CN | disclosed |
| CN-115232068-B | Compound and preparation method and application thereof | 北京中医药大学 | 2023-09-08 | — | — | CN | disclosed |