Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PRKCA | P17252 | 1/20 | 0.35 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 4/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL19060744 | 0.97 | ALDH1A1 (0.37) | ALDH1A1TDP1PRKCAPRKCDTHRB | |
| Methane SCHEMBL27957514 | 0.95 | ALDH1A1 (0.36) | ALDH1A1TDP1PRKCAPRKCDTHRB | |
| Butane SCHEMBL28202376 | 0.95 | ALDH1A1 (0.36) | ALDH1A1TDP1PRKCAPRKCDTHRB | |
| SCHEMBL27343134 | 0.93 | ALDH1A1 (0.34) | ALDH1A1TDP1PRKCAPRKCDTHRB | |
| SCHEMBL28289881 | 0.90 | OPRM1 (0.44) | THRBDNM1TSHROPRM1LMNA | |
| SCHEMBL727202 | 0.88 | OPRM1 (0.42) | THRBDNM1TSHROPRM1LMNA | |
| SCHEMBL11453471 | 0.88 | OPRM1 (0.42) | THRBDNM1TSHROPRM1LMNA | |
| SCHEMBL28096431 | 0.84 | THRB (0.38) | THRBOPRM1LMNA | |
| SCHEMBL28797600 | 0.82 | THRB (0.36) | ALDH1A1TDP1THRBDNM1CYP3A4 | |
| SCHEMBL1877496 | 0.81 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1819990-B | Compound with anti-HCV effect and preparation method thereof | CHUGAI PHARMACEUTICAL CO LTD | 2010-04-21 | — | — | CN | disclosed |
| CN-1819990-A | Compound having anti-hcv activity and process for producing the same | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2006-08-16 | — | — | CN | disclosed |