Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | SCN4A | P35499 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | THPO | P40225 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9976313 | 0.82 | TDP1 (0.46) | TDP1ALDH1A1LMNAHSD17B10TSHR | |
| SCHEMBL12414718 | 0.81 | SCN4A (0.34) | TSHRCYP3A4SCN4ACYP1A2CYP2D6 | |
| SCHEMBL28101728 | 0.81 | ALOX15 (0.44) | TDP1LMNAHSD17B10TSHRCYP3A4 | |
| SCHEMBL12414724 | 0.81 | SCN4A (0.34) | TSHRCYP3A4SCN4ACYP1A2CYP2D6 | |
| SCHEMBL28101763 | 0.81 | ALOX15 (0.44) | TDP1LMNAHSD17B10TSHRCYP3A4 | |
| SCHEMBL15502436 | 0.80 | TDP1 (0.38) | TDP1ALDH1A1LMNAHSD17B10TSHR | |
| SCHEMBL419473 | 0.80 | — | — | |
| SCHEMBL21498575 | 0.80 | — | — | |
| SCHEMBL8820540 | 0.80 | — | — | |
| SCHEMBL13030932 | 0.79 | SLC7A5 (0.42) | TSHRCYP3A4SCN4ACYP1A2CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010149684-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-12-29 | — | — | WO | disclosed |