Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | HTR5A | P47898 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5311567 | 0.79 | ALDH1A1 (0.42) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL23146418 | 0.76 | CHRM2 (0.38) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL23146225 | 0.76 | CHRM2 (0.38) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL8485 | 0.75 | SLC6A2 (0.42) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL12503316 | 0.74 | KDM4E (0.41) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL27469603 | 0.74 | SLC6A2 (0.41) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL19729045 | 0.73 | IDO1 (0.42) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL29129766 | 0.73 | ESR1 (0.37) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL29639022 | 0.73 | SLC6A2 (0.33) | — | |
| SCHEMBL4452852 | 0.73 | ADRB2 (0.37) | ADRB2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0819000-A4 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| EP-0819000-A1 | NODULISPORIC ACID DERIVATIVES | Merck & Co., Inc. (US) | 1998-01-21 | — | — | EP | disclosed |
| WO-1996029073-A1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO., INC. (US) | 1996-09-26 | — | — | WO | disclosed |