Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 7/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL453729 | 0.83 | TRPA1 (0.50) | TDP1IDO1ALDH1A1L3MBTL1CYP3A4 | |
| SCHEMBL11808580 | 0.83 | IDO1 (0.47) | TDP1TP53IDO1ESR1ALDH1A1 | |
| SCHEMBL5299443 | 0.80 | TDP1 (0.46) | TDP1ALDH1A1L3MBTL1CYP3A4ALOX15 | |
| Ammonia Solution, Strong SCHEMBL28135606 | 0.78 | TDP1 (0.44) | TDP1ALDH1A1L3MBTL1CYP3A4ALOX15 | |
| SCHEMBL2059694 | 0.78 | TDP1 (0.54) | TDP1TP53PDE10AESR1ESR2 | |
| SCHEMBL25069190 | 0.78 | IDO1 (0.43) | TDP1IDO1ALDH1A1L3MBTL1CYP3A4 | |
| SCHEMBL3720647 | 0.78 | ALOX15 (0.45) | TDP1IDO1ALDH1A1L3MBTL1CYP3A4 | |
| SCHEMBL14453835 | 0.78 | ALDH1A1 (0.47) | TDP1IDO1ESR2ALDH1A1L3MBTL1 | |
| SCHEMBL14453838 | 0.78 | IDO1 (0.43) | TDP1IDO1ESR1ESR2ALDH1A1 | |
| SCHEMBL26239891 | 0.78 | MEN1 (0.46) | TDP1IDO1ALDH1A1L3MBTL1CYP3A4 |
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-2010127208-A1 | INHIBITORS OF ACETYL-COA CARBOXYLASE | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2010-11-04 | — | — | WO | disclosed |