Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | TYK2 | P29597 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 2/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9870279 | 0.86 | HTT (0.40) | PARP1RAB9ANPC1KMT2AJAK2 | |
| SCHEMBL9869743 | 0.77 | KDM4E (0.50) | PARP1RAB9ANPC1JAK2MAPT | |
| SCHEMBL9468326 | 0.76 | KDM4E (0.38) | NTRK1PIM1ACVR1RAB9AMEN1 | |
| SCHEMBL7510664 | 0.68 | KMT2A (0.56) | TSHRRAB9AMEN1NPC1KMT2A | |
| SCHEMBL2804588 | 0.64 | RIPK2 (0.71) | TSHRRAB9AMEN1NPC1KMT2A | |
| SCHEMBL8337977 | 0.63 | TLR8 (0.50) | PARP1RAB9ANPC1KMT2AJAK2 | |
| SCHEMBL9478335 | 0.63 | RXRA (0.46) | RAB9ANPC1KMT2AMAPTKDM4E | |
| SCHEMBL8335601 | 0.63 | RIPK2 (0.46) | RAB9ANPC1JAK2JAK1TYK2 | |
| SCHEMBL10335729 | 0.62 | RAB9A (0.48) | TSHRMAP4K4CASP1NTRK1PIM1 | |
| SCHEMBL8049323 | 0.61 | SCN9A (0.54) | TSHRRAB9ANPC1JAK2JAK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5013737-A | Hypotensive, anxiolytic, cognitive disorders | AMERICAN CYANAMID COMPANY (US) | 1991-05-07 | — | — | US | disclosed |
| US-4916137-A | 5-(Substituted-amino)-8-(phenyl or substituted-phenyl)-3H,6H-1,4,5A,8A-tetraazaacenaphthylen-3-ones and treatment of neural behavior disorders | AMERICAN CYANAMID COMPANY (US) | 1990-04-10 | — | — | US | disclosed |