Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL6952034 | 0.82 | TSHR (0.56) | CYP1A2CYP3A4CYP2D6PRMT1MEN1 | |
| SCHEMBL19209540 | 0.80 | CHRM2 (0.48) | GAATHRBSIGMAR1 | |
| SCHEMBL7796812 | 0.80 | CYP2D6 (0.61) | CYP1A2CYP3A4CYP2D6PRMT1TSHR | |
| SCHEMBL3037947 | 0.71 | SIGMAR1 (0.72) | KMT2ATSHRALDH1A1PKMLMNA | |
| SCHEMBL11347486 | 0.71 | SIGMAR1 (0.72) | KMT2ATSHRALDH1A1PKMLMNA | |
| SCHEMBL11487640 | 0.69 | SLC6A4 (0.55) | CYP2D6MEN1KMT2AALDH1A1LMNA | |
| SCHEMBL7329630 | 0.68 | SIGMAR1 (0.81) | TSHRPOLBSIGMAR1 | |
| SCHEMBL8176858 | 0.68 | MC4R (0.61) | KMT2ATSHRALDH1A1LMNAPOLB | |
| SCHEMBL6832085 | 0.68 | CYP3A4 (0.46) | CYP1A2CYP3A4CYP2D6PRMT1MEN1 | |
| SCHEMBL2655561 | 0.68 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2D6PRMT1TSHR |
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 |