Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 2/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.46 |
| ▸ | METAP1 | P53582 | 3/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MPI | P34949 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | DRD5 | P21918 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL29248715 | 0.85 | MPO (0.47) | METAP1MAPTALDH1A1KDM4EMEN1 | |
| SCHEMBL11094766 | 0.81 | MPO (0.53) | MTNR1BMETAP1ACHEMAPTALDH1A1 | |
| SCHEMBL14447257 | 0.77 | MTNR1B (0.46) | NQO2MTNR1AMTNR1BMETAP1ACHE | |
| SCHEMBL14613213 | 0.77 | MPO (0.59) | NQO2MTNR1AMTNR1BMETAP1ACHE | |
| SCHEMBL9629516 | 0.75 | METAP1 (0.41) | METAP1ACHEMAPTALDH1A1KDM4E | |
| SCHEMBL30933590 | 0.75 | METAP1 (0.41) | METAP1ACHEMAPTALDH1A1KDM4E | |
| SCHEMBL8655877 | 0.75 | NQO2 (0.42) | NQO2MTNR1AMTNR1BMETAP1ACHE | |
| SCHEMBL8349133 | 0.73 | NQO2 (0.62) | NQO2MTNR1AMTNR1BMETAP1ACHE | |
| SCHEMBL7034109 | 0.73 | DRD2 (0.41) | NQO2MTNR1AMTNR1BMETAP1ACHE | |
| SCHEMBL11769868 | 0.73 | NQO2 (0.59) | NQO2MTNR1AMTNR1BMETAP1ACHE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3144312-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | AbbVie B.V. (NL) | 2017-03-22 | — | — | EP | disclosed |
| EP-2590955-B9 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | ABBVIE BV (NL) | 2017-02-22 | — | — | EP | disclosed |