Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 7/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.44 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL4540046 | 0.85 | MAPT (0.43) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL4539989 | 0.85 | MAPT (0.43) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL4539690 | 0.85 | MAPT (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL4540292 | 0.84 | MAPT (0.64) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL4542687 | 0.81 | MAPT (0.45) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL4540140 | 0.74 | MAPT (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| Acetonitrile SCHEMBL27922454 | 0.74 | BDKRB1 (0.40) | MAPTMEN1KMT2APPARGNR2E3 | |
| SCHEMBL4542880 | 0.74 | CYP2C9 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL27857191 | 0.73 | KMT2A (0.43) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL4542793 | 0.72 | BDKRB1 (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2010523-A1 | SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS | GLAXO GROUP LIMITED (GB) | 2009-01-07 | — | — | EP | claimed |
| WO-2007125061-A1 | SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS | GLAXO GROUP LIMITED (GB) | 2007-11-08 | — | — | WO | claimed |
| WO-2009117421-A2 | HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2009-09-24 | — | — | WO | disclosed |