Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | SLC9A1 | P19634 | 3/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL58561 | 0.81 | TSHR (0.49) | TSHRNPSR1RXFP1SLC9A1KEAP1 | |
| Fluoride SCHEMBL6346 | 0.80 | TSHR (0.47) | TSHRNPSR1RXFP1SLC9A1KEAP1 | |
| SCHEMBL16497703 | 0.79 | TSHR (0.53) | TSHRNPSR1RXFP1SLC9A1KEAP1 | |
| SCHEMBL16004772 | 0.78 | TSHR (0.49) | TSHRNPSR1RXFP1SLC9A1KEAP1 | |
| SCHEMBL15967708 | 0.78 | TSHR (0.49) | TSHRNPSR1RXFP1SLC9A1KEAP1 | |
| SCHEMBL23146638 | 0.77 | TSHR (0.54) | TSHRNPSR1RXFP1SLC9A1KEAP1 | |
| SCHEMBL936121 | 0.76 | TSHR (0.44) | TSHRNPSR1RXFP1SLC9A1KEAP1 | |
| SCHEMBL798347 | 0.76 | TSHR (0.58) | TSHRNPSR1RXFP1SLC9A1KEAP1 | |
| Fluoride SCHEMBL29274482 | 0.75 | TSHR (0.43) | TSHRNPSR1RXFP1SLC9A1KEAP1 | |
| SCHEMBL29389351 | 0.75 | TSHR (0.61) | TSHRNPSR1RXFP1SLC9A1KEAP1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2635573-A1 | HETEROCYCLIC COMPOUNDS AS S1P1 AGONISTS FOR THE TREATMENT OF AUTOIMMUNE AND VASCULAR DISEASES | Bristol-Myers Squibb Company (US) | 2013-09-11 | — | — | EP | disclosed |
| EP-2595969-A1 | SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS | Bristol-Myers Squibb Company (US) | 2013-05-29 | — | — | EP | disclosed |
| US-8399451-B2 | Heterocyclic compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-03-19 | — | — | US | disclosed |
| EP-2560969-A1 | 4 - (5 - ISOXAZOLYL OR 5 - PYRRAZOLYL -1,2,4- OXADIAZOL - 3 - YL) -MANDELIC ACID AMIDES AS SPHINGOSIN- 1 - PHOSPHATE 1 RRECEPTOR AGONISTS | Bristol-Myers Squibb Company (US) | 2013-02-27 | — | — | EP | disclosed |
| WO-2012061459-A1 | HETEROCYCLIC COMPOUNDS AS S1P1 AGONISTS FOR THE TREATMENT OF AUTOIMMUNE AND VASCULAR DISEASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-05-10 | — | — | WO | disclosed |
| WO-2012012477-A1 | SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-01-26 | — | — | WO | disclosed |
| WO-2011133734-A1 | 4 - (5 - ISOXAZOLYL OR 5 - PYRRAZOLYL -1,2,4- OXADIAZOL - 3 - YL) -MANDELIC ACID AMIDES AS SPHINGOSIN- 1 - PHOSPHATE 1 RRECEPTOR AGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-10-27 | — | — | WO | disclosed |