Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | PKM | P14618 | 4/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.32 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | EDNRB | P24530 | 1/20 | 0.31 |
| ▸ | EDNRA | P25101 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8129065 | 0.81 | ADORA3 (0.33) | ADORA3ADORA2AADORA2BADORA1ADRB2 | |
| SCHEMBL7370168 | 0.75 | KDM4E (0.46) | ADORA2AADORA1ALDH1A1PKMMAPT | |
| SCHEMBL8120446 | 0.71 | ALDH1A1 (0.42) | ALDH1A1PKMMAPTHTTRAB9A | |
| SCHEMBL7374814 | 0.70 | TP53 (0.43) | ALDH1A1MAPTHTTRAB9AMEN1 | |
| SCHEMBL7377958 | 0.69 | ADRB2 (0.37) | ADORA3ADORA2AADORA2BADORA1ALDH1A1 | |
| SCHEMBL7160145 | 0.68 | HTR2A (0.35) | HTR2AHTR2CRAB9ANPC1CHRM3 | |
| SCHEMBL7374475 | 0.67 | HTR2A (0.41) | ALDH1A1HTR2AHTR2CMAPTLMNA | |
| SCHEMBL27163385 | 0.65 | ADRB2 (0.39) | ADORA3ADORA2AADORA2BADORA1ADRB2 | |
| SCHEMBL577582 | 0.65 | — | — | |
| SCHEMBL27163432 | 0.64 | MAPT (0.49) | ALDH1A1PKMMAPTRAB9AMEN1 |
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-0994107-A1 | 5-Arylisoxazol-4-yl-substituted 2-amino carboxylic acid compounds | H. LUNDBECK A/S (DK) | 2000-04-19 | — | — | EP | disclosed |
| EP-0726896-A1 | 5-ARYLISOXAZOL-4-YL-SUBSTITUTED 2-AMINO CARBOXYLIC ACID COMPOUNDS | H. LUNDBECK A/S (DK) | 1996-08-21 | — | — | EP | disclosed |
| WO-1995012587-A1 | 5-ARYLISOXAZOL-4-YL-SUBSTITUTED 2-AMINO CARBOXYLIC ACID COMPOUNDS | H. LUNDBECK A/S (DK) | 1995-05-11 | — | — | WO | disclosed |