Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 2/20 | 0.38 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | ALPL | P05186 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3337780 | 0.77 | TSHR (0.48) | TSHRTACR1ALDH1A1KDM4EPOLB | |
| SCHEMBL1842781 | 0.75 | CALM1 (0.39) | TSHRSORT1LTA4HALDH1A1KDM4E | |
| SCHEMBL20049050 | 0.74 | TSHR (0.54) | TSHRTACR1ALDH1A1KDM4EPOLB | |
| SCHEMBL13291870 | 0.73 | TSHR (0.48) | TSHRTACR1ALDH1A1KDM4EPOLB | |
| SCHEMBL18989481 | 0.72 | TSHR (0.50) | TSHRTACR1ALDH1A1KDM4EPOLB | |
| SCHEMBL5423335 | 0.70 | TSHR (0.48) | TSHRTACR1ALDH1A1KDM4EPOLB | |
| SCHEMBL24933884 | 0.68 | TSHR (0.45) | TSHRTACR1ALDH1A1KDM4EPOLB | |
| SCHEMBL5555166 | 0.68 | TSHR (0.45) | TSHRTACR1ALDH1A1KDM4EPOLB | |
| SCHEMBL20625170 | 0.67 | TACR1 (0.44) | TSHRTACR1ALDH1A1KDM4EPOLB | |
| SCHEMBL6532626 | 0.67 | TSHR (0.40) | TSHRTACR1ALDH1A1KDM4EPOLB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1398315-B1 | Anti-inflammatory oxo-derivatives and hydroxy derivatives of pyrrolizines, and their pharmaceutical use | MERCKLE GMBH (DE) | 2007-08-08 | — | — | EP | disclosed |
| US-6878738-B1 | Anti-inflammatory oxo derivatives and hydroxy derivatives of pyrrolizines, and their pharmaceutical use | MERCKLE GMBH (DE) | 2005-04-12 | — | — | US | disclosed |
| EP-1398315-A1 | Anti-inflammatory oxo-derivatives and hydroxy derivatives of pyrrolizines, and their pharmaceutical use | MERCKLE GMBH (DE) | 2004-03-17 | — | — | EP | disclosed |
| EP-1232158-A1 | ANTI-INFLAMMATORY OXO DERIVATIVES AND HYDROXY DERIVATIVES OF PYRROLIZINES, AND THEIR PHARMACEUTICAL USE | MERCKLE GMBH (DE) | 2002-08-21 | — | — | EP | disclosed |
| WO-2001005792-A1 | ANTI-INFLAMMATORY OXO DERIVATIVES AND HYDROXY DERIVATIVES OF PYRROLIZINES, AND THEIR PHARMACEUTICAL USE | MERCKLE GMBH (DE) | 2001-01-25 | — | — | WO | disclosed |