Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL13480323 | 0.77 | ALDH1A1 (0.62) | ALDH1A1MAPTCYP1A2DOT1LNPC1 | |
| SCHEMBL281936 | 0.73 | NPC1 (0.41) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C19 | |
| Quinoline SCHEMBL9665224 | 0.72 | ALDH1A1 (0.53) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL16483956 | 0.70 | NPC1 (0.55) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL16483986 | 0.70 | NPC1 (0.55) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL8469855 | 0.69 | ALDH1A1 (0.34) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL18382449 | 0.66 | NPC1 (0.59) | ALDH1A1MAPTCYP3A4DOT1LNPC1 | |
| SCHEMBL130884 | 0.66 | ALDH1A1 (1.00) | ALDH1A1MAPTCYP1A2NPC1RAB9A | |
| SCHEMBL827302 | 0.65 | ALDH1A1 (0.89) | ALDH1A1MAPTCYP1A2NPC1RAB9A | |
| Ammonia Solution, Strong SCHEMBL27491586 | 0.65 | ALDH1A1 (0.96) | ALDH1A1MAPTCYP1A2NPC1RAB9A |
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-1000999-B1 | COMPOUNDS FOR ORGANIC EL DEVICES AND ORGANIC EL DEVICES | TDK CORP (JP) | 2010-02-24 | — | — | EP | disclosed |