Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 2/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27745212 | 0.88 | ACHE (0.60) | ACHETSHRLTA4HALDH1A1RECQL | |
| Hydrochloric Acid SCHEMBL1449991 | 0.82 | CCR5 (0.49) | CCR5LTA4H | |
| SCHEMBL27624757 | 0.82 | CCR5 (0.49) | CCR5ACHEHRH3LTA4HSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL1449072 | 0.81 | CCR5 (0.49) | CCR5ACHEHRH3LTA4HSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL1449121 | 0.81 | SMN1; SMN2 (0.59) | TSHRLTA4HALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL27745210 | 0.80 | ACHE (0.59) | CCR5ACHEHRH3TSHRLTA4H | |
| SCHEMBL8176746 | 0.79 | SIGMAR1 (0.62) | ACHEOPRM1 | |
| SCHEMBL4626104 | 0.79 | MMP2 (0.49) | HRH3MMP2MMP9 | |
| SCHEMBL24163317 | 0.78 | RECQL (0.69) | ACHEHRH3TSHRALDH1A1RECQL | |
| SCHEMBL25967968 | 0.77 | ALDH1A1 (0.65) | HRH3ALDH1A1SMN1; SMN2KDM4ETRPV6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101928284-A | Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient | ONO PHARMACEUTICAL CO | 2010-12-29 | — | — | CN | disclosed |
| CN-1787996-B | Nitrogen-containing heterocyclic derivative and drug containing the same as active ingredient | ONO PHARMACEUTICAL CO | 2010-06-16 | — | — | CN | disclosed |
| CN-101333185-A | Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient | ONO PHARMACEUTICAL CO (JP) | 2008-12-31 | — | — | CN | disclosed |
| CN-101333186-A | Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient | ONO PHARMACEUTICAL CO (JP) | 2008-12-31 | — | — | CN | disclosed |