Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3720563 | 0.83 | ALDH1A1 (0.48) | TDP1TP53PDE10AESR1ESR2 | |
| SCHEMBL28550208 | 0.77 | TDP1 (0.42) | TDP1TP53PDE10AESR1ESR2 | |
| SCHEMBL30517904 | 0.74 | TDP1 (0.45) | TDP1TP53PDE10AESR1ESR2 | |
| SCHEMBL14878288 | 0.74 | TDP1 (0.45) | TDP1TP53PDE10AESR1ESR2 | |
| SCHEMBL3720465 | 0.74 | SMN1; SMN2 (0.46) | TDP1TP53PDE10AESR1ESR2 | |
| SCHEMBL27747552 | 0.71 | ESR1 (0.47) | TDP1TP53PDE10AESR1ESR2 | |
| SCHEMBL24064296 | 0.71 | ESR1 (0.41) | TDP1TP53PDE10AESR1ESR2 | |
| SCHEMBL8497028 | 0.71 | IGLV6-57 (0.51) | TDP1ESR1ESR2 | |
| SCHEMBL19027542 | 0.71 | KMT2A (0.51) | TDP1ALDH1A1 | |
| SCHEMBL135848 | 0.71 | TP53 (0.54) | TDP1TP53PDE10AESR1ESR2 |
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 |