Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 7/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14696504 | 0.86 | S1PR1 (0.63) | S1PR1HDAC6HDAC4HDAC8HDAC1 | |
| SCHEMBL1334289 | 0.83 | S1PR1 (0.63) | S1PR1S1PR3POLBMAPTSMN1; SMN2 | |
| SCHEMBL1335173 | 0.77 | S1PR1 (0.64) | S1PR1S1PR3S1PR4S1PR5KCNH2 | |
| SCHEMBL2591285 | 0.76 | S1PR1 (0.58) | S1PR1S1PR3POLBMAPTSMN1; SMN2 | |
| SCHEMBL27921152 | 0.76 | S1PR1 (0.77) | S1PR1S1PR3POLBMAPTSMN1; SMN2 | |
| SCHEMBL2579544 | 0.76 | S1PR1 (0.77) | S1PR1S1PR3POLBMAPTSMN1; SMN2 | |
| SCHEMBL1336500 | 0.75 | S1PR1 (0.61) | S1PR1S1PR3POLBMAPTSMN1; SMN2 | |
| SCHEMBL2577717 | 0.75 | S1PR1 (0.83) | S1PR1 | |
| SCHEMBL2571102 | 0.75 | S1PR1 (0.71) | S1PR1 | |
| SCHEMBL12288618 | 0.75 | S1PR1 (0.77) | S1PR1S1PR3POLBMAPTSMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-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 |