Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | F2RL1 | P55085 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6076678 | 0.81 | ALDH1A1 (0.57) | ALDH1A1PKMCHRM2LTA4HNPC1 | |
| SCHEMBL9831 | 0.79 | ALDH1A1 (0.59) | ALDH1A1PKMCHRM2LTA4HNPC1 | |
| SCHEMBL6492992 | 0.78 | ALDH1A1 (0.53) | ALDH1A1PKMCHRM2NPC1MAPT | |
| Hydrochloric Acid SCHEMBL5057702 | 0.77 | ALDH1A1 (0.57) | ALDH1A1PKMCHRM2LTA4HNPC1 | |
| SCHEMBL12125283 | 0.77 | CYP3A4 (0.54) | ALDH1A1MAPTMEN1KMT2AIDO1 | |
| SCHEMBL7346729 | 0.76 | ALDH1A1 (0.61) | ALDH1A1PKMCHRM2LTA4HNPC1 | |
| SCHEMBL121529 | 0.76 | CHRM2 (0.70) | ALDH1A1PKMCHRM2GAAIDO1 | |
| SCHEMBL1608953 | 0.76 | IDO1 (0.53) | ALDH1A1PKMCHRM2NPC1MAPT | |
| SCHEMBL14137298 | 0.75 | ALDH1A1 (0.55) | ALDH1A1PKMCHRM2LTA4HNPC1 | |
| Hydrochloric Acid SCHEMBL2147064 | 0.74 | CHRM2 (0.68) | ALDH1A1PKMCHRM2RAB9AGAA |
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-1670459-A4 | NITROSATED AND NITROSYLATED CARDIOVASCULAR COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2009-03-25 | — | — | EP | disclosed |
| EP-1670459-A2 | NITROSATED AND NITROSYLATED CARDIOVASCULAR COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2006-06-21 | — | — | EP | disclosed |
| WO-2005018561-A2 | NITROSATED AND NITROSYLATED CARDIOVASCULAR COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2005-03-03 | — | — | WO | disclosed |