Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 2/20 | 0.49 |
| ▸ | LDHB | P07195 | 1/20 | 0.49 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.41 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.38 |
| ▸ | BRS3 | P32247 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MYC | P01106 | 1/20 | 0.36 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.35 |
| ▸ | OXTR | P30559 | 1/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20503284 | 0.82 | LDHA (0.47) | LDHALDHBPTGER1LTB4R2BRS3 | |
| SCHEMBL20503250 | 0.71 | LTB4R2 (0.50) | PTGER1LTB4R2BRS3ALDH1A1POLB | |
| SCHEMBL5046158 | 0.70 | MYC (0.59) | PTGER1ALDH1A1POLBHPGDSMN1; SMN2 | |
| SCHEMBL18301238 | 0.69 | PTGER1 (0.49) | LDHALDHBPTGER1ALDH1A1POLB | |
| SCHEMBL27922019 | 0.67 | TSHR (0.49) | PTGER1ALDH1A1POLBHPGDMYC | |
| SCHEMBL30180415 | 0.67 | LDHA (0.51) | LDHALDHBBRS3ALDH1A1HPGD | |
| SCHEMBL14237367 | 0.67 | LDHA (0.60) | LDHALDHBMYC | |
| SCHEMBL27303578 | 0.67 | TSHR (0.45) | PTGER1ALDH1A1POLBHPGDSMN1; SMN2 | |
| Isobutane SCHEMBL27746314 | 0.66 | TSHR (0.55) | ALDH1A1POLBHPGDSMN1; SMN2L3MBTL1 | |
| SCHEMBL1319713 | 0.66 | PTGER1 (0.49) | LDHALDHBPTGER1ALDH1A1POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3377473-A1 | MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS | RQX Pharmaceuticals, Inc. (US) | 2018-09-26 | — | — | EP | disclosed |
| WO-2018149419-A1 | MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS | RQX PHARMACEUTICALS, INC. (US) | 2018-08-23 | — | — | WO | disclosed |