Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | TSHR | P16473 | 3/20 | 0.62 |
| ▸ | ESR1 | P03372 | 3/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.62 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.62 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.62 |
| ▸ | KDR | P35968 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 5/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.61 |
| ▸ | STS | P08842 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 5/20 | 0.59 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL7754276 | 0.95 | ALDH1A1 (0.60) | ALDH1A1TSHRESR1TDP1SLC6A2 | |
| SCHEMBL10598323 | 0.94 | TSHR (0.58) | ALDH1A1TSHRESR1TDP1SLC6A2 | |
| SCHEMBL4642615 | 0.92 | MAPT (0.57) | ALDH1A1TSHRESR1TDP1SLC6A2 | |
| SCHEMBL4645797 | 0.91 | KMT2A (0.59) | ALDH1A1TSHRESR1TDP1SLC6A2 | |
| SCHEMBL4645520 | 0.91 | MAPT (0.56) | ALDH1A1TSHRESR1TDP1SLC6A2 | |
| SCHEMBL26153358 | 0.90 | ALDH1A1 (0.62) | ALDH1A1TSHRESR1TDP1SLC6A2 | |
| SCHEMBL4641659 | 0.90 | MAPT (0.54) | ALDH1A1TSHRESR1TDP1SLC6A2 | |
| SCHEMBL9099566 | 0.90 | KMT2A (0.58) | ALDH1A1TSHRESR1TDP1SLC6A2 | |
| SCHEMBL1615175 | 0.90 | KMT2A (0.58) | ALDH1A1TSHRESR1TDP1SLC6A2 | |
| SCHEMBL4641487 | 0.90 | MAPT (0.58) | ALDH1A1TSHRESR1TDP1SLC6A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0202340-B1 | ALKANEDICARBOXYLIC ESTER COMPOUNDS | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1989-05-31 | — | — | EP | disclosed |
| US-4713474-A | Alkanedicarboxylic diester compounds | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1987-12-15 | — | — | US | disclosed |
| EP-0202340-A1 | ALKANEDICARBOXYLIC ESTER COMPOUNDS | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1986-11-26 | — | — | EP | disclosed |