Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.49 |
| ▸ | RARG | P13631 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.49 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 1/20 | 0.49 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.49 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11684413 | 0.92 | ALDH1A1 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL7758264 | 0.85 | MEN1 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1687346 | 0.82 | ALDH1A1 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL14743831 | 0.81 | CA1 (0.52) | CYP3A4CYP2C19KMT2AMEN1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL4098661 | 0.81 | ALDH1A1 (0.59) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL7267200 | 0.81 | NPC1 (0.49) | KMT2AMEN1ALDH1A1RAB9A | |
| SCHEMBL26079040 | 0.80 | L3MBTL1 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13296294 | 0.80 | KMT2A (0.56) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL2588851 | 0.80 | TACR1 (0.55) | ALDH1A1MAPT | |
| Trifluoroacetic Acid SCHEMBL2588848 | 0.80 | TACR1 (0.55) | ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-8350077-B2 | Amides of creatine, method of their preparation, and remedy possessing a neuroprotective activity | VERTEX CLOSED JOINT STOCK COMPANY (RU) | 2013-01-08 | — | — | US | disclosed |
| US-20110269986-A1 | AMIDES OF CREATNE, METHOD OF THEIR PREPARATION, AND REMEDY POSSESSING A NEUROPROTECTIVE ACTIVITY | AMIDE BEVERAGE COMPANY, LLC | 2011-11-03 | — | — | US | disclosed |