Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.66 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | GAA | P10253 | 7/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9734467 | 0.99 | ALDH1A1 (0.68) | ALDH1A1KDM4ETDP1MAPTGAA | |
| SCHEMBL9733752 | 0.96 | ALDH1A1 (0.68) | ALDH1A1KDM4ETDP1MAPTGAA | |
| SCHEMBL9733660 | 0.91 | ALDH1A1 (0.79) | ALDH1A1KDM4ETDP1MAPTGAA | |
| SCHEMBL30545315 | 0.91 | ALDH1A1 (0.59) | ALDH1A1KDM4ETDP1MAPTGAA | |
| SCHEMBL25435385 | 0.91 | ALDH1A1 (0.59) | ALDH1A1KDM4ETDP1MAPTGAA | |
| SCHEMBL9849461 | 0.90 | ALDH1A1 (0.54) | ALDH1A1KDM4ETDP1MAPTGAA | |
| SCHEMBL9416927 | 0.88 | ALDH1A1 (0.73) | ALDH1A1KDM4ETDP1MAPTGAA | |
| SCHEMBL9733713 | 0.86 | ALDH1A1 (0.49) | ALDH1A1KDM4ETDP1MAPTGAA | |
| SCHEMBL9747295 | 0.86 | ALDH1A1 (0.49) | ALDH1A1KDM4ETDP1MAPTGAA | |
| SCHEMBL9734929 | 0.86 | KDM4E (0.51) | ALDH1A1KDM4ETDP1MAPTGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5106975-A | Hexahydropyrimidine derivatives | ETHYL PETROLEUM ADDITIVES, INC. (US) | 1992-04-21 | — | — | US | disclosed |
| EP-0434185-A2 | Hexahydropyrimidine derivatives | ETHYL PETROLEUM ADDITIVES, INC. (US) | 1991-06-26 | — | — | EP | disclosed |