Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 5/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9734975 | 0.78 | ALDH1A1 (0.47) | ALDH1A1KDM4ETDP1GAAHTT | |
| SCHEMBL9733660 | 0.77 | ALDH1A1 (0.79) | ALDH1A1KDM4ETDP1GAAHTT | |
| SCHEMBL9733702 | 0.75 | HSPA5 (0.61) | ALDH1A1KDM4ETDP1GAAHTT | |
| SCHEMBL9734591 | 0.75 | ALDH1A1 (0.70) | ALDH1A1KDM4ETDP1GAAHTT | |
| SCHEMBL16512751 | 0.73 | CA2 (0.43) | ALDH1A1KDM4EGAAHTTMAPK1 | |
| SCHEMBL9734301 | 0.72 | ALDH1A1 (0.66) | ALDH1A1KDM4ETDP1GAAHTT | |
| SCHEMBL9733677 | 0.72 | CA1 (0.53) | ALDH1A1KDM4ETDP1GAAHTT | |
| SCHEMBL9734467 | 0.71 | ALDH1A1 (0.68) | ALDH1A1KDM4ETDP1GAAHTT | |
| SCHEMBL9733752 | 0.71 | ALDH1A1 (0.68) | ALDH1A1KDM4ETDP1GAAHTT | |
| SCHEMBL9733734 | 0.71 | ALDH1A1 (0.64) | ALDH1A1KDM4ETDP1GAAHTT |
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 |