Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | CPT2 | P23786 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | BHMT | Q93088 | 3/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5675851 | 0.74 | GAA (0.35) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL6536931 | 0.74 | HMGCR (0.52) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL289826 | 0.72 | — | — | |
| SCHEMBL7301614 | 0.72 | — | — | |
| SCHEMBL7252624 | 0.70 | HMGCR (0.61) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL23534046 | 0.68 | — | — | |
| SCHEMBL20425149 | 0.68 | HMGCR (0.46) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL20220523 | 0.67 | HMGCR (0.44) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL11496709 | 0.65 | TSHR (0.46) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL48109 | 0.64 | KDM4E (0.65) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1018879-B1 | NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS AND THEIR USES | NITROMED INC (US) | 2007-08-01 | — | — | EP | claimed |
| WO-2020067485-A1 | INDUCER OF CARDIAC ABILITY TO SYNTHESIZE ACETYLCHOLINE | 学校法人日本医科大学 | 2020-04-02 | — | — | WO | disclosed |
| WO-2009003624-A1 | HYALURONIC ACID DERIVATIVES CONTAINING GROUPS ABLE TO RELEASE NO | FIDIA FARMACEUTICI S.P.A. (IT) | 2009-01-08 | — | — | WO | disclosed |
| EP-1603933-A2 | NITROSATED AND NITROSYLATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-12-14 | — | — | EP | disclosed |
| WO-2004098538-A2 | NITROSATED AND NITROSYLATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2004-11-18 | — | — | WO | disclosed |