Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | BRCA1 | P38398 | 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 | |
|---|---|---|---|---|
| SCHEMBL27297501 | 0.83 | CYP2A6 (0.55) | ALDH1A1CYP2A6CYP2A13TSHRHSD17B3 | |
| SCHEMBL28168182 | 0.76 | ALDH1A1 (0.46) | ALDH1A1TDP1TSHRCHRNA7MEN1 | |
| SCHEMBL17772909 | 0.76 | ALDH1A1 (0.48) | ALDH1A1HDAC8CYP2A6CYP2A13TDP1 | |
| SCHEMBL27700429 | 0.75 | ALDH1A1 (0.41) | ALDH1A1CYP2A6TDP1TSHRCHRNB2 | |
| SCHEMBL27450285 | 0.75 | TDP1 (0.48) | ALDH1A1TDP1TSHRMEN1MAPT | |
| SCHEMBL28168179 | 0.75 | APP (0.39) | ALDH1A1TDP1APPMEN1MAPT | |
| SCHEMBL27294646 | 0.74 | HTT (0.43) | ALDH1A1TSHRCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL27350154 | 0.71 | — | — | |
| SCHEMBL178888 | 0.71 | CYP2A6 (0.58) | ALDH1A1CYP2A6CYP2A13TDP1TSHR | |
| Hydrochloric Acid SCHEMBL2806293 | 0.69 | CYP2A6 (0.56) | ALDH1A1CYP2A6CYP2A13TDP1TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102448920-A | Antiviral compounds and uses thereof | ABBOTT LAB | 2012-05-09 | — | — | CN | disclosed |
| CN-101918369-A | Uracil or thymine derivatives for the treatment of hepatitis C | ABBOTT LAB | 2010-12-15 | — | — | CN | disclosed |
| CN-101801935-A | Uracil or thymine derivatives for the treatment of hepatitis C | ABBOTT LAB | 2010-08-11 | — | — | CN | disclosed |