Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | DHFR | P00374 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL12907955 | 0.80 | MAOA (0.40) | MAOAMAOBCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2283022 | 0.80 | CYP2E1 (0.65) | MAOAMAOBCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12906832 | 0.80 | MAPT (0.65) | CYP2C9MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL27985278 | 0.78 | CYP1A2 (0.65) | MAOAMAOBCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12906826 | 0.77 | CYP2E1 (0.42) | MAOAMAOBCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12907213 | 0.75 | NR2E1 (0.45) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL12906757 | 0.75 | L3MBTL1 (0.43) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL7607579 | 0.75 | HTR7 (0.59) | CYP1A2CYP2C9CYP2C19NPC1RAB9A | |
| Fluoride SCHEMBL27569822 | 0.74 | MEN1 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12906825 | 0.73 | PSEN1 (0.40) | MAOAMAOBCYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011016559-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | 武田薬品工業株式会社 (JP) | 2011-02-10 | — | — | WO | disclosed |