Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | EGLN1 | Q9GZT9 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GABRP | O00591 | 1/20 | 0.39 |
| ▸ | GABRD | O14764 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 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 | |
|---|---|---|---|---|
| SCHEMBL10233986 | 0.89 | EGLN1 (0.43) | ALDH1A1TDP1SMN1; SMN2LMNAEGLN1 | |
| SCHEMBL4484374 | 0.87 | LMNA (0.49) | ALDH1A1TDP1SMN1; SMN2LMNAEGLN1 | |
| Trifluoroacetic Acid SCHEMBL4499510 | 0.83 | LMNA (0.46) | ALDH1A1TDP1SMN1; SMN2LMNAEGLN1 | |
| SCHEMBL1336916 | 0.82 | MEN1 (0.42) | ALDH1A1TDP1SMN1; SMN2LMNAEGLN1 | |
| SCHEMBL10233982 | 0.79 | ALDH1A1 (0.40) | ALDH1A1TDP1SMN1; SMN2LMNAMEN1 | |
| SCHEMBL6032420 | 0.79 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2LMNAEGLN1MEN1 | |
| SCHEMBL4478273 | 0.79 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2LMNAEGLN1MEN1 | |
| SCHEMBL4487206 | 0.77 | MEN1 (0.49) | ALDH1A1TDP1SMN1; SMN2LMNAEGLN1 | |
| SCHEMBL4477132 | 0.76 | LMNA (0.50) | ALDH1A1TDP1SMN1; SMN2LMNAEGLN1 | |
| SCHEMBL6031443 | 0.75 | MEN1 (0.37) | ALDH1A1SMN1; SMN2LMNAEGLN1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012058173-A1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-05-03 | — | — | WO | disclosed |