Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PAM | P19021 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | KLK7 | P49862 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8971537 | 0.85 | TSHR (0.49) | TSHRALDH1A1MAPK1L3MBTL1PAM | |
| SCHEMBL8971448 | 0.84 | TSHR (0.47) | TSHRALDH1A1MAPK1L3MBTL1PAM | |
| SCHEMBL27669952 | 0.78 | TSHR (0.68) | TSHRALDH1A1MAPK1L3MBTL1PAM | |
| SCHEMBL28008662 | 0.75 | TSHR (0.50) | TSHRALDH1A1MAPK1L3MBTL1PAM | |
| Benzene SCHEMBL9407299 | 0.72 | ALDH1A1 (0.65) | TSHRALDH1A1MAPK1L3MBTL1PAM | |
| SCHEMBL664857 | 0.72 | ALDH1A1 (0.65) | TSHRALDH1A1MAPK1L3MBTL1PAM | |
| SCHEMBL2241152 | 0.70 | TSHR (0.71) | TSHRALDH1A1MAPK1L3MBTL1PAM | |
| SCHEMBL2877979 | 0.70 | ALDH1A1 (0.63) | TSHRALDH1A1MAPK1L3MBTL1PAM | |
| SCHEMBL4966165 | 0.69 | TSHR (0.58) | TSHRALDH1A1MAPK1L3MBTL1PAM | |
| SCHEMBL8971571 | 0.69 | TSHR (0.43) | TSHRALDH1A1MAPK1L3MBTL1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0586490-B1 | DERIVATIVES OF PERHYDROISOINDOL, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | RHONE POULENC RORER SA (FR) | 1996-03-20 | — | — | EP | disclosed |
| WO-1992020653-A1 | NOVEL DERIVATIVES OF PERHYDROISOINDOL, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | RHONE-POULENC RORER S.A. (FR) | 1992-11-26 | — | — | WO | disclosed |
| EP-0514273-A1 | New derivatives of perhydroisoindole, their preparation and pharmaceutical compositions containing them | Aventis Pharma S.A. (FR) | 1992-11-19 | — | — | EP | disclosed |