Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | FABP7 | O15540 | 1/20 | 0.42 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27724950 | 0.87 | ALDH1A1 (0.54) | ALDH1A1GAATSHRMAPK1L3MBTL1 | |
| SCHEMBL5220501 | 0.87 | HTR2C (0.57) | HTR2CALDH1A1GAATSHRMAPK1 | |
| SCHEMBL6535407 | 0.85 | TSHR (0.47) | HTR2CALDH1A1GAATSHRSLC6A2 | |
| SCHEMBL27724941 | 0.83 | ALDH1A1 (0.50) | ALDH1A1GAATSHRMAPK1L3MBTL1 | |
| SCHEMBL14809053 | 0.82 | HTR2C (0.53) | HTR2CALDH1A1TSHRMAPK1L3MBTL1 | |
| SCHEMBL14809055 | 0.82 | HTR2C (0.53) | HTR2CALDH1A1TSHRMAPK1L3MBTL1 | |
| SCHEMBL8692031 | 0.80 | ALDH1A1 (0.53) | ALDH1A1GAATSHRMAPK1L3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL17873978 | 0.79 | HTR2C (0.50) | HTR2CALDH1A1GAATSHRMAPK1 | |
| SCHEMBL28514239 | 0.79 | GLA (0.44) | HTR2CALDH1A1TSHRMAPK1L3MBTL1 | |
| SCHEMBL48133 | 0.78 | ALDH1A1 (0.63) | ALDH1A1TSHRMAPK1L3MBTL1SLC6A2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101998959-B | Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) | BIOMARIN PHARM INC | 2013-08-28 | — | — | CN | disclosed |
| EP-2595969-A1 | SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS | Bristol-Myers Squibb Company (US) | 2013-05-29 | — | — | EP | disclosed |
| EP-2493866-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS | Bristol-Myers Squibb Company (US) | 2012-09-05 | — | — | EP | disclosed |
| EP-2462139-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS | Bristol-Myers Squibb Company (US) | 2012-06-13 | — | — | EP | disclosed |
| WO-2012012477-A1 | SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-01-26 | — | — | WO | disclosed |
| WO-2011059784-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-05-19 | — | — | WO | disclosed |
| CN-101998959-A | Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) | LEAD THERAPEUTICS INC | 2011-03-30 | — | — | CN | disclosed |
| WO-2011017578-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-02-10 | — | — | WO | disclosed |