Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 10/20 | 0.47 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | MME | P08473 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3275081 | 1.00 | S1PR1 (0.47) | S1PR1RORCMMEALDH1A1S1PR3 | |
| SCHEMBL4929190 | 0.96 | S1PR1 (0.45) | S1PR1RORCMMEALDH1A1S1PR3 | |
| SCHEMBL4929185 | 0.96 | S1PR1 (0.45) | S1PR1RORCMMEALDH1A1S1PR3 | |
| SCHEMBL3093188 | 0.93 | S1PR1 (0.42) | S1PR1RORCS1PR3MEN1KMT2A | |
| SCHEMBL4930096 | 0.85 | S1PR1 (0.61) | S1PR1S1PR3MAPT | |
| SCHEMBL4930104 | 0.85 | S1PR1 (0.61) | S1PR1S1PR3MAPT | |
| SCHEMBL4618965 | 0.81 | MEN1 (0.64) | S1PR1RORCALDH1A1S1PR3KDM4E | |
| SCHEMBL4618961 | 0.81 | MEN1 (0.64) | S1PR1RORCALDH1A1S1PR3KDM4E | |
| SCHEMBL27703187 | 0.79 | S1PR1 (0.46) | S1PR1RORCALDH1A1S1PR3KDM4E | |
| SCHEMBL4931695 | 0.78 | S1PR1 (0.60) | S1PR1ALDH1A1S1PR3KDM4EHSD17B10 |
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-1981858-B1 | 3,5-DI(ARYL OR HETEROARYL)ISOXAZOLES AND 1,2,4-OXADIAZOLES AS S1P1 RECEPTOR AGONISTS, IMMUNOSUPPRESSSIVE AND ANTI-INFLAMMATORY AGENTS | NOVARTIS AG (CH) | 2010-06-16 | — | — | EP | claimed |
| EP-1981858-B1 | 3,5-DI(ARYL OR HETEROARYL)ISOXAZOLES AND 1,2,4-OXADIAZOLES AS S1P1 RECEPTOR AGONISTS, IMMUNOSUPPRESSSIVE AND ANTI-INFLAMMATORY AGENTS | NOVARTIS AG (CH) | 2010-06-16 | — | — | EP | disclosed |