Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | TYK2 | P29597 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2541376 | 0.86 | PDE4D (0.46) | KDM4EP2RX7SMN1; SMN2LMNAHTT | |
| SCHEMBL2541379 | 0.86 | PDE4D (0.46) | KDM4EP2RX7SMN1; SMN2LMNAHTT | |
| SCHEMBL2543396 | 0.84 | P2RX7 (0.40) | ALDH1A1P2RX7SMN1; SMN2LMNAHTT | |
| SCHEMBL2543401 | 0.84 | P2RX7 (0.40) | ALDH1A1P2RX7SMN1; SMN2LMNAHTT | |
| SCHEMBL2643737 | 0.83 | PDK2 (0.46) | P2RX7SMN1; SMN2LMNAIDO1HTR1A | |
| SCHEMBL29800801 | 0.83 | PDK2 (0.46) | P2RX7SMN1; SMN2LMNAIDO1HTR1A | |
| SCHEMBL12261625 | 0.81 | IDO1 (0.44) | KDM4EP2RX7SMN1; SMN2HTTMEN1 | |
| SCHEMBL2539867 | 0.78 | CYP2C19 (0.61) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL2539865 | 0.78 | CYP2C19 (0.61) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL16803045 | 0.77 | ABL1 (0.46) | P2RX7SMN1; SMN2LMNAIDO1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2560975-B1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2015-06-17 | — | — | EP | disclosed |