Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | STAT1 | P42224 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Propionaldehyde SCHEMBL27544770 | 0.88 | ALDH1A1 (0.53) | ALDH1A1MAPK1TDP1KMT2ASMN1; SMN2 | |
| Propionaldehyde SCHEMBL27524950 | 0.88 | TDP1 (0.53) | ALDH1A1MAPK1TDP1KMT2AMEN1 | |
| SCHEMBL27882939 | 0.78 | SMN1; SMN2 (0.43) | ALDH1A1MAPK1TDP1KMT2ASMN1; SMN2 | |
| Propionaldehyde SCHEMBL27753776 | 0.77 | ALDH1A1 (0.59) | ALDH1A1MAPK1TDP1KMT2AMEN1 | |
| SCHEMBL29525203 | 0.77 | — | — | |
| SCHEMBL1622 | 0.77 | — | — | |
| SCHEMBL7026005 | 0.77 | — | — | |
| Fluorobenzene SCHEMBL27296706 | 0.76 | ALDH1A1 (0.45) | ALDH1A1MAPK1TDP1KMT2ALMNA | |
| Bromobenzene SCHEMBL28023281 | 0.76 | ALDH1A1 (0.55) | ALDH1A1MAPK1TDP1KMT2AMAPT | |
| SCHEMBL15577528 | 0.75 | HTR2A (0.41) | ALDH1A1MAPK1TDP1KMT2ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1292697-A | Anti-viral compound | LILLY CO ELI (US) | 2001-04-25 | — | — | CN | disclosed |