Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 1/20 | 0.45 |
| ▸ | DCTPP1 | Q9H773 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | FNTA | P49354 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11943853 | 0.92 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2KDM4EPKMCYP1A2 | |
| SCHEMBL17058335 | 0.91 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2KDM4EPKMCYP1A2 | |
| SCHEMBL11943841 | 0.90 | LMNA (0.51) | ALDH1A1SMN1; SMN2KDM4EPKMCYP3A4 | |
| SCHEMBL17058178 | 0.84 | SMN1; SMN2 (0.42) | ALDH1A1SMN1; SMN2KDM4EPKMCYP3A4 | |
| SCHEMBL11945041 | 0.83 | MAPT (0.51) | ALDH1A1SMN1; SMN2KDM4EPKMCYP3A4 | |
| SCHEMBL11943545 | 0.83 | TP53 (0.46) | ALDH1A1SMN1; SMN2KDM4EPKMCYP1A2 | |
| SCHEMBL17057960 | 0.82 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2KDM4EPKMCYP3A4 | |
| SCHEMBL11945856 | 0.82 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2KDM4EPKMCYP1A2 | |
| SCHEMBL11943835 | 0.82 | ME2 (0.43) | ALDH1A1SMN1; SMN2KDM4EPKMMAPT | |
| SCHEMBL11943850 | 0.81 | HPGDS (0.52) | ALDH1A1SMN1; SMN2KDM4EPKMDCTPP1 |
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-2137179-B1 | PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS | MERCK SHARP & DOHME (US) | 2015-09-02 | — | — | EP | disclosed |