Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10915404 | 0.85 | DHFR (0.46) | DHFRALDH1A1MEN1KMT2ACYP2C9 | |
| SCHEMBL11160945 | 0.85 | TBXA2R (0.48) | ALDH1A1MEN1KMT2ACYP2C9CYP2C19 | |
| SCHEMBL10924777 | 0.82 | LMNA (0.46) | DHFRALDH1A1MEN1KMT2ACYP2C9 | |
| SCHEMBL11169806 | 0.82 | — | — | |
| SCHEMBL11167036 | 0.82 | ALDH1A1 (0.39) | ALDH1A1GAA | |
| SCHEMBL10781944 | 0.81 | KDM4E (0.51) | DHFRALDH1A1MEN1KMT2ACYP2C9 | |
| SCHEMBL11165750 | 0.81 | CACNA1C (0.51) | ALDH1A1KMT2ACYP2C9CYP2C19HSD17B10 | |
| SCHEMBL11168595 | 0.79 | TBXA2R (0.47) | ALDH1A1MEN1KMT2ACYP2C9CYP2C19 | |
| SCHEMBL11035332 | 0.78 | DHFR (0.44) | DHFRALDH1A1MEN1KMT2ACYP2C9 | |
| SCHEMBL10913943 | 0.78 | NR1I2 (0.44) | DHFRALDH1A1MEN1KMT2ACYP2C9 |
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-0039863-A1 | 1,4-Dihydropyridines with different substituents in positions 2 and 6, processes for their preparation and their use in medicines | BAYER AG (DE) | 1981-11-18 | — | — | EP | disclosed |