Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.51 |
| ▸ | S1PR5 | Q9H228 | 4/20 | 0.51 |
| ▸ | CCR5 | P51681 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.47 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | LTA4H | P09960 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL24770743 | 0.89 | ALDH1A1 (0.65) | KDM4EALDH1A1CHRM2CHRM3S1PR5 | |
| Dimethylformamide SCHEMBL27717638 | 0.87 | KDM4E (0.54) | KDM4EALDH1A1S1PR5SIGMAR1HRH3 | |
| SCHEMBL4591727 | 0.81 | KDM4E (0.70) | KDM4EALDH1A1CHRM2CHRM3SIGMAR1 | |
| SCHEMBL29175611 | 0.81 | S1PR5 (0.64) | KDM4EALDH1A1S1PR5SIGMAR1S1PR4 | |
| SCHEMBL29175613 | 0.81 | S1PR5 (0.64) | KDM4EALDH1A1S1PR5SIGMAR1S1PR4 | |
| SCHEMBL29175644 | 0.81 | S1PR5 (0.64) | KDM4EALDH1A1S1PR5SIGMAR1S1PR4 | |
| SCHEMBL13236630 | 0.78 | S1PR5 (0.66) | KDM4EALDH1A1S1PR5HRH3S1PR4 | |
| SCHEMBL4592012 | 0.76 | KDM4E (0.63) | KDM4EALDH1A1SIGMAR1HRH3KMT2A | |
| Formic Acid SCHEMBL28857498 | 0.76 | MEN1 (0.62) | S1PR5S1PR1KMT2ALTA4HMEN1 | |
| SCHEMBL2073212 | 0.76 | DRD2 (0.60) | KDM4EALDH1A1S1PR5CCR5SIGMAR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101296906-A | (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds | BOEHRINGER INGELHEIM INT (DE) | 2008-10-29 | — | — | CN | disclosed |