Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CTSD | P07339 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7124014 | 0.85 | HPGD (0.48) | ALDH1A1CTSDNPC1RAB9AHTT | |
| SCHEMBL7124018 | 0.85 | HPGD (0.48) | ALDH1A1CTSDNPC1RAB9AHTT | |
| Hydrochloric Acid SCHEMBL7164809 | 0.83 | TP53 (0.47) | CTSDNPC1RAB9AHTTMAPT | |
| Hydrochloric Acid SCHEMBL7164811 | 0.83 | TP53 (0.47) | CTSDNPC1RAB9AHTTMAPT | |
| SCHEMBL18334685 | 0.82 | CTSD (0.49) | ALDH1A1CTSDNPC1RAB9AHTT | |
| SCHEMBL8701928 | 0.79 | RAB9A (0.46) | ALDH1A1NPC1RAB9AHTTMAPT | |
| Iodide SCHEMBL8700644 | 0.78 | CTSD (0.45) | ALDH1A1CTSDNPC1RAB9AHTT | |
| SCHEMBL8698015 | 0.77 | KMT2A (0.50) | ALDH1A1NPC1RAB9AHTTMAPT | |
| SCHEMBL17114455 | 0.76 | CTSD (0.53) | ALDH1A1CTSDNPC1RAB9AHTT | |
| SCHEMBL13003559 | 0.76 | CTSD (0.53) | ALDH1A1CTSDNPC1RAB9AHTT |
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-1998003479-A1 | NITRONE DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION, AND THEIR USE AS HERBICIDES | RHONE-POULENC AGRICULTURE LTD. (GB) | 1998-01-29 | — | — | WO | disclosed |