Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPC1L1 | Q9UHC9 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.37 |
| ▸ | UBA2 | Q9UBT2 | 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 | |
|---|---|---|---|---|
| SCHEMBL7520184 | 0.92 | ALDH1A1 (0.45) | ALDH1A1KDM4EPARP1POLBHPGD | |
| SCHEMBL8290102 | 0.88 | GAA (0.41) | ALDH1A1KDM4EPOLBHPGDRAB9A | |
| SCHEMBL8290113 | 0.77 | SIGMAR1 (0.42) | ALDH1A1POLBRAB9AKMT2AGAA | |
| SCHEMBL14104845 | 0.74 | ATM (0.41) | ALDH1A1LMNAMEN1KMT2AHTT | |
| SCHEMBL8288160 | 0.72 | FPR2 (0.38) | ALDH1A1HPGDLMNATSHR | |
| SCHEMBL8289020 | 0.72 | NPSR1 (0.41) | ALDH1A1KDM4ELMNATSHRMEN1 | |
| SCHEMBL10305487 | 0.72 | FPR2 (0.39) | POLBLMNAMEN1KMT2AMAPT | |
| SCHEMBL12504645 | 0.71 | FPR2 (0.38) | ALDH1A1LMNAMEN1KMT2AMAPT | |
| SCHEMBL12503623 | 0.71 | SPR (0.38) | ALDH1A1LMNATSHRHSD17B10 | |
| SCHEMBL7515076 | 0.70 | KDM4E (0.49) | ALDH1A1KDM4ERAB9AMEN1KMT2A |
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-1699455-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2013-05-08 | — | — | EP | disclosed |