Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.33 |
| ▸ | LSS | P48449 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CCR9 | P51686 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | THRA | P10827 | 1/20 | 0.30 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157342 | 0.85 | SRD5A2 (0.43) | MAPTHTTSMN1; SMN2RXRACA2 | |
| SCHEMBL20157815 | 0.84 | KMT2A (0.40) | MAPTSRD5A2 | |
| SCHEMBL20157579 | 0.84 | TP53 (0.38) | MAPTHTTSMN1; SMN2TDP1CCR9 | |
| SCHEMBL20157472 | 0.82 | CES2 (0.38) | TAS1R3TAS1R1MAPTHTTSMN1; SMN2 | |
| SCHEMBL20157411 | 0.81 | NPC1 (0.48) | MAPTHTTSMN1; SMN2THRBCA2 | |
| SCHEMBL21351995 | 0.81 | CCR9 (0.47) | MAPTHTTSMN1; SMN2CCR9 | |
| SCHEMBL20157941 | 0.78 | CA1 (0.33) | TAS1R3TAS1R1PTGS2PTGS1CA2 | |
| SCHEMBL20157485 | 0.75 | ALDH1A1 (0.41) | TAS1R3TAS1R1MAPTHPGD | |
| SCHEMBL8433473 | 0.75 | ALDH1A1 (0.44) | TAS1R3TAS1R1MAPTHPGDTDP1 | |
| SCHEMBL21352105 | 0.74 | ACHE (0.47) | TAS1R3TAS1R1MAPTHTTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3539960-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) | 2019-09-18 | — | — | EP | disclosed |