Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.44 |
| ▸ | WNT3A | P56704 | 2/20 | 0.44 |
| ▸ | THRA | P10827 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL997314 | 0.88 | TSHR (0.51) | TSHRMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL10807506 | 0.84 | GSK3B (0.51) | TSHRMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL997660 | 0.83 | MAPT (0.49) | TSHRMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL1421889 | 0.82 | MAPT (0.73) | TSHRMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL4455295 | 0.80 | CA1 (0.65) | TSHRALDH1A1MAPK1CYP1A2CYP3A4 | |
| SCHEMBL10804813 | 0.80 | ALDH1A1 (0.51) | TSHRMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL998950 | 0.79 | MAPT (0.39) | TSHRMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL9417798 | 0.79 | MAPT (0.55) | TSHRMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL8729926 | 0.79 | MAPT (0.58) | TSHRMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL1219390 | 0.78 | MAPT (0.54) | TSHRMAPTALDH1A1MEN1KMT2A |
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-2011009826-A2 | NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY | ADAMED Sp.z o.o. (PL) | 2011-01-27 | — | — | WO | disclosed |