Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL1768 | 0.82 | — | — | |
| Bromide SCHEMBL3909821 | 0.80 | TSHR (0.46) | SMN1; SMN2TSHRALDH1A1LOXL2TRPA1 | |
| SCHEMBL8599727 | 0.77 | ALDH1A1 (0.37) | SMN1; SMN2TSHRALDH1A1LOXL2TRPA1 | |
| Formic Acid SCHEMBL30493587 | 0.75 | ADH1B (0.39) | TSHRALDH1A1TRPA1MAOBTDP1 | |
| SCHEMBL10318927 | 0.72 | TSHR (0.39) | SMN1; SMN2TSHRALDH1A1LOXL2TRPA1 | |
| SCHEMBL18805024 | 0.72 | ALDH1A1 (0.39) | TSHRALDH1A1LOXL2TRPA1TDP1 | |
| SCHEMBL1304 | 0.72 | — | — | |
| Anthraquinone SCHEMBL7478164 | 0.72 | KMT2A (0.48) | SMN1; SMN2TSHRALDH1A1MAOBTDP1 | |
| SCHEMBL599815 | 0.70 | TAAR1 (0.50) | TSHRALDH1A1TDP1GAAIDO1 | |
| Water SCHEMBL1556360 | 0.69 | TSHR (0.35) | TSHR |
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-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 |