Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 6/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 6/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | ESRRG | P62508 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL16076888 | 0.81 | HSD17B1 (0.54) | HSD17B1HSD17B2ESR2 | |
| SCHEMBL20056601 | 0.80 | HSD17B1 (0.52) | HSD17B1HSD17B2ESR2HDAC2ESRRG | |
| SCHEMBL30147643 | 0.78 | HDAC6 (0.49) | HSD17B1HSD17B2MAP4K4ESR2RAB9A | |
| SCHEMBL14161443 | 0.75 | MAP4K4 (0.43) | HSD17B1HSD17B2MAP4K4BACE1KDM4E | |
| SCHEMBL2662442 | 0.75 | HSP90AA1 (0.53) | HDAC2RAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL30147551 | 0.74 | HDAC6 (0.52) | HDAC2SMN1; SMN2HPGD | |
| SCHEMBL114726 | 0.73 | CES2 (0.54) | MAP4K4HDAC2RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL13568513 | 0.72 | TAS1R3 (0.54) | MAP4K4HDAC2RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL6119709 | 0.70 | HCAR1 (0.59) | HSD17B1HSD17B2MAP4K4HDAC2SMN1; SMN2 | |
| SCHEMBL19391124 | 0.70 | KDM4E (0.65) | HSD17B1HSD17B2ESR2HDAC2ESR1 |
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-2970353-B1 | MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS | VERTEX PHARMA (US) | 2018-04-18 | — | — | EP | disclosed |