Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.62 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3378826 | 0.83 | MAPK1 (0.53) | ACHEMEN1KMT2ATSHRALDH1A1 | |
| SCHEMBL11889012 | 0.82 | S1PR1 (0.52) | ALDH1A1POLB | |
| SCHEMBL4269129 | 0.81 | KDM4E (0.47) | MEN1KMT2AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL12432723 | 0.81 | KMT2A (0.60) | RAB9AKMT2ANPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL25531023 | 0.80 | ACHE (0.60) | ACHEHRH3RAB9AMEN1KMT2A | |
| SCHEMBL12433148 | 0.77 | DRD4 (0.55) | ACHEMEN1KMT2AALDH1A1POLB | |
| SCHEMBL12013922 | 0.77 | ACHE (1.00) | ACHEHRH3MEN1KMT2AALDH1A1 | |
| SCHEMBL6975680 | 0.75 | HRH3 (0.73) | ACHEHRH3ALDH1A1DRD4 | |
| SCHEMBL21476688 | 0.74 | ACHE (0.73) | ACHEHRH3MEN1KMT2A | |
| SCHEMBL10370183 | 0.73 | ACHE (0.65) | ACHEHRH3ALDH1A1POLBDRD2 |
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-1848710-B1 | HETEROCYCLIC SUBSTITUTED PIPERAZINES WITH CXCR3 ANTAGONIST ACTIVITY | MERCK SHARP & DOHME (US) | 2013-10-16 | — | — | EP | disclosed |