Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CTSD | P07339 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL3681186 | 0.69 | TDP1 (0.37) | TDP1CYP1A2ALDH1A1CTSDHSD17B10 | |
| SCHEMBL1036360 | 0.69 | LMNA (0.34) | TDP1CYP1A2ALDH1A1CTSDHSD17B10 | |
| Hydrochloric Acid SCHEMBL27419243 | 0.68 | POLB (0.34) | TDP1CYP1A2ALDH1A1CTSDHSD17B10 | |
| SCHEMBL2677295 | 0.67 | HPGD (0.38) | — | |
| SCHEMBL5668049 | 0.63 | SIGMAR1 (0.41) | TDP1CYP1A2ALDH1A1 | |
| SCHEMBL4803305 | 0.63 | CYP1A2 (0.32) | TDP1CYP1A2ALDH1A1CTSDHSD17B10 | |
| SCHEMBL10718475 | 0.63 | TDP1 (0.38) | TDP1CYP1A2ALDH1A1CTSDHSD17B10 | |
| SCHEMBL9495346 | 0.62 | TDP1 (0.35) | TDP1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL15570466 | 0.62 | CYP1A2 (0.41) | TDP1CYP1A2ALDH1A1CTSDHSD17B10 | |
| SCHEMBL9522417 | 0.60 | TDP1 (0.36) | TDP1CYP1A2ALDH1A1CTSDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-7329661-B2 | N-phenyl-3-pyrimidine-amine derivatives | NOVARTIS AG (CH) | 2008-02-12 | — | — | US | disclosed |