Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 5/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 7/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7950259 | 0.84 | MAOA (0.44) | CYP2A6MAOAMAOBGAARAB9A | |
| SCHEMBL7943756 | 0.68 | MTNR1A (0.41) | CYP2A6MAOAMAOBRAB9ANPC1 | |
| SCHEMBL15520897 | 0.65 | CYP2A6 (0.43) | CYP2A6MAOAMAOBGAALMNA | |
| SCHEMBL15520895 | 0.65 | CYP2A6 (0.43) | CYP2A6MAOAMAOBGAALMNA | |
| Acetohydroxamic Acid SCHEMBL28410021 | 0.64 | MAOA (0.70) | CYP2A6MAOAMAOBGAARAB9A | |
| Acetic Acid SCHEMBL817975 | 0.63 | TSHR (0.57) | CYP2A6MAOAMAOBGAARAB9A | |
| SCHEMBL4372666 | 0.63 | CYP2A6 (0.41) | CYP2A6MAOAMAOBGAARAB9A | |
| SCHEMBL4372664 | 0.63 | CYP2A6 (0.41) | CYP2A6MAOAMAOBGAARAB9A | |
| SCHEMBL30505637 | 0.62 | CYP2A6 (0.68) | CYP2A6MAOAMAOBNPY5RNOTUM | |
| SCHEMBL3103992 | 0.62 | CYP2A6 (0.68) | CYP2A6MAOAMAOBNPY5RNOTUM |
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 |
|---|---|---|---|---|---|---|---|
| US-6235789-B1 | GLANDULAR DISORDERS; SLEEP DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-22 | — | — | US | disclosed |