Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ERN1 | O75460 | 4/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | TLR2 | O60603 | 1/20 | 0.37 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.37 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | TRIM24 | O15164 | 3/20 | 0.37 |
| ▸ | TRIM33 | Q9UPN9 | 3/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL31028928 | 0.89 | ESR1 (0.39) | ALDH1A1TSHRKCNJ1LMNAESR1 | |
| SCHEMBL2451551 | 0.86 | ALDH1A1 (0.59) | ALDH1A1TSHRKCNJ1MEN1LMNA | |
| SCHEMBL4214812 | 0.80 | ALDH1A1 (0.37) | ALDH1A1MEN1KMT2AESR1ESR2 | |
| SCHEMBL21786281 | 0.80 | ALDH1A1 (0.37) | ALDH1A1MEN1KMT2AESR1ESR2 | |
| SCHEMBL12913343 | 0.80 | ALDH1A1 (0.37) | ALDH1A1MEN1KMT2AESR1ESR2 | |
| SCHEMBL1589649 | 0.79 | LMNA (0.65) | ALDH1A1TSHRKCNJ1MEN1LMNA | |
| SCHEMBL1020031 | 0.79 | LMNA (0.65) | ALDH1A1TSHRKCNJ1MEN1LMNA | |
| SCHEMBL12672919 | 0.78 | ESR1 (0.35) | ESR1ESR2ELANE | |
| SCHEMBL20258533 | 0.77 | TRPA1 (0.41) | ALDH1A1TSHRMEN1KMT2AESR1 | |
| SCHEMBL10394775 | 0.77 | TRPA1 (0.41) | ALDH1A1TSHRMEN1KMT2AESR1 |
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-2254883-B1 | SUBSTITUTED INDOLE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2014-11-26 | — | — | EP | disclosed |
| WO-2009103552-A1 | SUBSTITUTED INDOLE DERIVATIVES | Grünenthal GmbH (DE) | 2009-08-27 | — | — | WO | disclosed |