Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7619536 | 0.77 | ALDH1A1 (0.37) | ALDH1A1TSHRRAD52CHRM5CHRM1 | |
| SCHEMBL28548919 | 0.77 | ACHE (0.53) | ACHEBACE1ALDH1A1MAOAMAOB | |
| SCHEMBL10600348 | 0.77 | ACHE (0.52) | ACHEBACE1ALDH1A1MAOAMAOB | |
| SCHEMBL24092255 | 0.75 | ALDH1A1 (0.38) | ALDH1A1TSHRPTPN1RAD52CHRM5 | |
| SCHEMBL9651750 | 0.74 | ACHE (0.55) | ACHEBACE1ALDH1A1TSHRMAOA | |
| SCHEMBL7915011 | 0.73 | ACHE (0.61) | ACHEBACE1ALDH1A1MAOAMAOB | |
| SCHEMBL8144583 | 0.72 | ACHE (0.52) | ACHEBACE1ALDH1A1MAOAMAOB | |
| SCHEMBL29078814 | 0.71 | ACHE (0.47) | ACHEBACE1ALDH1A1TSHRMAOA | |
| SCHEMBL987861 | 0.71 | ALDH1A1 (0.38) | ALDH1A1TSHRRAD52CHRM5CHRM1 | |
| SCHEMBL25148620 | 0.71 | ACHE (0.47) | ACHEBACE1MAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| US-6433199-B1 | ANTITUMOR, ANTICANCER AGENTS | SHIONOGI BIORESEARCH CORPORATION | 2002-08-13 | — | — | US | disclosed |
| US-5969133-A | Bioreductive cytotoxic agents | SHIONGI BIORESEARCH CORP. (US) | 1999-10-19 | — | — | US | disclosed |