Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 7/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9950040 | 0.92 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 | |
| SCHEMBL9950014 | 0.90 | SMN1; SMN2 (0.42) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 | |
| SCHEMBL9950039 | 0.89 | LMNA (0.41) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 | |
| SCHEMBL9950118 | 0.87 | SIGMAR1 (0.42) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 | |
| SCHEMBL9949550 | 0.87 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 | |
| SCHEMBL4719013 | 0.87 | SIGMAR1 (0.41) | ALDH1A1LMNAMEN1KMT2ATSHR | |
| SCHEMBL5349650 | 0.87 | SIGMAR1 (0.43) | ALDH1A1SMN1; SMN2LMNAMEN1KMT2A | |
| SCHEMBL1934618 | 0.85 | LMNA (0.38) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 | |
| SCHEMBL9948939 | 0.85 | SMN1; SMN2 (0.46) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 | |
| SCHEMBL23219748 | 0.83 | LMNA (0.48) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 |
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-2021016433-A1 | ANTIBACTERIAL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS USING SAME | THE ROCKEFELLER UNIVERSITY (US) | 2021-01-28 | — | — | WO | disclosed |