Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL22828316 | 0.85 | TAAR1 (0.38) | CYP3A4MAPTALDH1A1L3MBTL1TDP1 | |
| Hydrochloric Acid SCHEMBL11323929 | 0.83 | ALDH1A1 (0.44) | CYP3A4MAPTALDH1A1L3MBTL1TDP1 | |
| SCHEMBL5228909 | 0.83 | ALDH1A1 (0.41) | S1PR1MAPTALDH1A1HTTMEN1 | |
| SCHEMBL4667661 | 0.83 | ALDH1A1 (0.47) | CYP3A4MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL1070556 | 0.76 | MAOB (0.55) | — | |
| SCHEMBL3824126 | 0.76 | CNR1 (0.41) | MAPTALDH1A1HTTMEN1KMT2A | |
| SCHEMBL2185703 | 0.75 | MAOB (0.53) | MAPTHTTLMNAMEN1KMT2A | |
| SCHEMBL22828001 | 0.73 | HTT (0.36) | CYP3A4S1PR1MAPTALDH1A1L3MBTL1 | |
| SCHEMBL28436434 | 0.72 | CYP3A4 (0.41) | CYP3A4S1PR1MAPTALDH1A1L3MBTL1 | |
| SCHEMBL12247771 | 0.72 | PARP1 (0.44) | ALDH1A1L3MBTL1LMNA |
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-2316829-A1 | Heterocyclic derivatives as modulators of ion channels | Vertex Pharmaceuticals Incorporated (US) | 2011-05-04 | — | — | EP | disclosed |