Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.35 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL754365 | 0.83 | PPARG (0.49) | BACE1MAOAMAOBKMT2AMEN1 | |
| SCHEMBL17907485 | 0.82 | MAOB (0.37) | MAOBKMT2AMEN1POLBPKM | |
| SCHEMBL754366 | 0.73 | MAPT (0.46) | BACE1MAOAMAOBKMT2AMEN1 | |
| SCHEMBL754648 | 0.71 | MAOB (0.46) | BACE1MAOAMAOB | |
| SCHEMBL10870465 | 0.64 | PTGER1 (0.54) | KMT2AMEN1PKMTDP1ALDH1A1 | |
| SCHEMBL10870470 | 0.64 | PTGER1 (0.54) | KMT2AMEN1PKMTDP1ALDH1A1 | |
| SCHEMBL27252704 | 0.64 | MAPT (0.55) | MAOAMAOBTDP1RAB9ANPC1 | |
| SCHEMBL14129787 | 0.64 | MAOB (0.41) | MAOAMAOBKMT2AMEN1ALDH1A1 | |
| SCHEMBL6035778 | 0.64 | PTGER4 (0.60) | ABCG2AKR1C3PKMALDH1A1 | |
| SCHEMBL6035782 | 0.64 | PTGER4 (0.60) | ABCG2AKR1C3PKMALDH1A1 |
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-3042894-A1 | ANTIVIRAL AGENT | SHIONOGI & CO., LTD. (JP) | 2016-07-13 | — | — | EP | disclosed |