Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | CES2 | O00748 | 1/20 | 0.60 |
| ▸ | CES1 | P23141 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.50 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.50 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7944841 | 0.85 | ALDH1A1 (0.67) | TP53ALDH1A1CES2CES1TSHR | |
| SCHEMBL5183927 | 0.84 | ALDH1A1 (0.56) | TP53ALDH1A1CES2CES1TSHR | |
| SCHEMBL4657785 | 0.82 | CES2 (0.70) | TP53ALDH1A1CES2CES1TSHR | |
| SCHEMBL6399354 | 0.81 | TP53 (0.58) | TP53ALDH1A1CES2CES1TSHR | |
| Chloromethane SCHEMBL27763001 | 0.80 | TP53 (0.89) | TP53ALDH1A1CES2CES1TSHR | |
| SCHEMBL19223915 | 0.80 | ALDH1A1 (0.59) | TP53ALDH1A1CES2CES1TSHR | |
| SCHEMBL6153319 | 0.79 | KMO (0.60) | TP53ALDH1A1CES2CES1TSHR | |
| SCHEMBL923488 | 0.79 | CES2 (0.66) | TP53ALDH1A1CES2CES1TSHR | |
| Methyl Alcohol SCHEMBL27634070 | 0.78 | TP53 (0.93) | TP53ALDH1A1CES2CES1TSHR | |
| SCHEMBL29490968 | 0.78 | TP53 (1.00) | TP53ALDH1A1CES2CES1TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1472229-A1 | 5-RING HETEROCYCLES USED AS ANTIVIRAL AGENTS | Bayer HealthCare AG (DE) | 2004-11-03 | — | — | EP | disclosed |
| WO-2003064394-A1 | 5-RING HETEROCYCLES USED AS ANTIVIRAL AGENTS | BAYER HEALTHCARE AG (DE) | 2003-08-07 | — | — | WO | disclosed |