Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.32 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4538917 | 0.79 | HTR3E (0.39) | ALDH1A1LMNAHTTTDP1MGLL | |
| SCHEMBL5802739 | 0.75 | NPC1 (0.41) | ALDH1A1MAPTTDP1MGLLKDM4E | |
| SCHEMBL20414976 | 0.70 | ALDH1A1 (0.41) | ALDH1A1MAPTMAPK1LMNAHTT | |
| SCHEMBL17766629 | 0.64 | ALDH1A1 (0.44) | ALDH1A1MAPTMAPK1LMNAKDM4E | |
| SCHEMBL5547864 | 0.62 | MAOB (0.49) | ALDH1A1MAPTMAPK1LMNAHTT | |
| SCHEMBL4094720 | 0.60 | HTR7 (0.39) | ALDH1A1MAPTMAPK1LMNAHTT | |
| SCHEMBL6501160 | 0.60 | ALDH1A1 (0.41) | ALDH1A1MAPTLMNAKDM4EHPGD | |
| SCHEMBL19305521 | 0.59 | MAPT (0.56) | ALDH1A1MAPTMAPK1LMNAHTT | |
| SCHEMBL10373626 | 0.59 | MAPT (0.77) | ALDH1A1MAPTMAPK1LMNAHTT | |
| SCHEMBL6497291 | 0.59 | KDM4E (0.35) | LMNAKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-102762582-B | Metal complexes comprising diazabenzimidazole carbene ligands and their use in OLEDs | BASF SE (DE) | 2015-11-25 | — | — | CN | disclosed |