Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | PAM | P19021 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PRKCA | P17252 | 1/20 | 0.35 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | GLS | O94925 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL5331118 | 0.88 | ADRB2 (0.40) | ADRB2ADRB1ADRB3TSHRALDH1A1 | |
| SCHEMBL5324608 | 0.84 | ADRB2 (0.42) | ADRB2ADRB1ADRB3TSHRALDH1A1 | |
| SCHEMBL5331537 | 0.80 | TSHR (0.46) | TSHRALDH1A1MAPK1L3MBTL1LTA4H | |
| SCHEMBL5331061 | 0.78 | TDP1 (0.40) | ADRB2ADRB1ADRB3SMN1; SMN2CASP1 | |
| SCHEMBL5324750 | 0.74 | TDP1 (0.43) | ADRB2ADRB1ADRB3KMT2ACASP1 | |
| SCHEMBL5329549 | 0.73 | TDP1 (0.39) | LTA4HKMT2A | |
| SCHEMBL5329666 | 0.72 | EPHX2 (0.40) | ADRB2ADRB1ADRB3L3MBTL1CASP1 | |
| SCHEMBL5324557 | 0.71 | TSHR (0.46) | ADRB2ADRB1ADRB3TSHRALDH1A1 | |
| SCHEMBL19024806 | 0.71 | TSHR (0.57) | ADRB2ADRB1ADRB3TSHRALDH1A1 | |
| SCHEMBL5615764 | 0.70 | LTA4H (0.38) | ALDH1A1LTA4H |
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-2007146086-A1 | CREATINE PRODRUGS, COMPOSITIONS AND USES THEREOF | XENOPORT, INC. (US) | 2007-12-21 | — | — | WO | disclosed |