Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL845941 | 0.81 | GRM5 (0.45) | USP2ALDH1A1KDM4EALOX15NPSR1 | |
| Methyl Alcohol SCHEMBL27467514 | 0.76 | PARP1 (0.60) | USP2ALDH1A1KDM4EALOX15NPSR1 | |
| Chloromethane SCHEMBL4962643 | 0.76 | PARP1 (0.60) | USP2ALDH1A1KDM4EALOX15NPSR1 | |
| SCHEMBL758549 | 0.76 | TP53 (0.37) | USP2ALDH1A1NPSR1NPC1RAB9A | |
| SCHEMBL29351761 | 0.76 | PARP1 (0.64) | USP2ALDH1A1KDM4EALOX15NPSR1 | |
| SCHEMBL4370629 | 0.76 | PARP1 (0.64) | USP2ALDH1A1KDM4EALOX15NPSR1 | |
| SCHEMBL1259 | 0.76 | PARP1 (0.64) | USP2ALDH1A1KDM4EALOX15NPSR1 | |
| SCHEMBL6016396 | 0.75 | PDE4B (0.38) | USP2ALDH1A1KDM4ENPSR1CYP1A2 | |
| SCHEMBL6875869 | 0.75 | TDP1 (0.47) | USP2ALDH1A1KDM4EALOX15NPSR1 | |
| SCHEMBL6871313 | 0.75 | TP53 (0.41) | USP2ALDH1A1NPSR1NPC1RAB9A |
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-1126838-A4 | NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2005-02-16 | — | — | EP | disclosed |
| EP-1126838-A1 | NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000025776-A1 | NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2000-05-11 | — | — | WO | disclosed |