Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | EDNRA | P25101 | 3/20 | 0.39 |
| ▸ | EDNRB | P24530 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TFPI2 | P48307 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2895444 | 1.00 | HDAC4 (0.43) | HDAC4EDNRAEDNRBHTR2CALDH1A1 | |
| SCHEMBL2894414 | 1.00 | HDAC4 (0.43) | HDAC4EDNRAEDNRBHTR2CALDH1A1 | |
| SCHEMBL707704 | 0.80 | CYP1A2 (0.54) | HDAC4ALDH1A1PKMTSHRCYP2C19 | |
| SCHEMBL707399 | 0.80 | CYP1A2 (0.54) | HDAC4ALDH1A1PKMTSHRCYP2C19 | |
| SCHEMBL3423257 | 0.73 | FFAR1 (0.52) | HDAC4HTR2CFFAR1KDM1A | |
| SCHEMBL14892502 | 0.73 | FFAR1 (0.52) | HDAC4HTR2CFFAR1KDM1A | |
| SCHEMBL2886920 | 0.72 | EDNRA (0.39) | HDAC4EDNRAEDNRBHTR2CALDH1A1 | |
| SCHEMBL5138952 | 0.72 | EDNRA (0.39) | HDAC4EDNRAEDNRBHTR2CALDH1A1 | |
| SCHEMBL5138948 | 0.72 | EDNRA (0.39) | HDAC4EDNRAEDNRBHTR2CALDH1A1 | |
| SCHEMBL2895998 | 0.72 | EDNRA (0.39) | HDAC4EDNRAEDNRBHTR2CALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1898905-A2 | HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2008-03-19 | — | — | EP | disclosed |
| WO-2007002457-A2 | HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-01-04 | — | — | WO | disclosed |