Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.39 |
| ▸ | NPFFR1 | Q9GZQ6 | 2/20 | 0.38 |
| ▸ | NPFFR2 | Q9Y5X5 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3092425 | 1.00 | ALDH1A1 (0.45) | ALDH1A1KDM4EL3MBTL1AKR1C3AKR1C2 | |
| SCHEMBL6111703 | 0.79 | AKR1C3 (0.55) | ALDH1A1KDM4EAKR1C3AKR1C2S1PR1 | |
| SCHEMBL30309537 | 0.79 | AKR1C3 (0.42) | ALDH1A1AKR1C3AKR1C2S1PR1S1PR3 | |
| SCHEMBL2447368 | 0.75 | NPFFR1 (0.43) | ALDH1A1KDM4EL3MBTL1NPFFR1NPFFR2 | |
| SCHEMBL2447369 | 0.75 | NPFFR1 (0.43) | ALDH1A1KDM4EL3MBTL1NPFFR1NPFFR2 | |
| SCHEMBL16681059 | 0.73 | NPFFR1 (0.42) | ALDH1A1KDM4EL3MBTL1NPFFR1NPFFR2 | |
| SCHEMBL15611218 | 0.73 | NPFFR2 (0.65) | ALDH1A1KDM4EL3MBTL1NPFFR1NPFFR2 | |
| SCHEMBL15611217 | 0.73 | NPFFR2 (0.65) | ALDH1A1KDM4EL3MBTL1NPFFR1NPFFR2 | |
| SCHEMBL16681061 | 0.73 | NPFFR1 (0.42) | ALDH1A1KDM4EL3MBTL1NPFFR1NPFFR2 | |
| SCHEMBL1802128 | 0.73 | ALOX5 (0.59) | S1PR1S1PR3MEN1MAPTKMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2233473-A1 | 3,5-di(aryl or heteroaryl)isoxazoles and 1,2,4-oxadiazoles as S1P1 receptor agonists, immunosuppresssive and anti-inflammatory agents | Novartis AG (CH) | 2010-09-29 | — | — | EP | disclosed |
| US-7799812-B2 | Reverse isoxazoles | NOVARTIS AG (CH) | 2010-09-21 | — | — | US | disclosed |
| 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 |
| US-20090137636-A1 | Reverse Isoxazoles | NOVARTIS AG | 2009-05-28 | — | — | US | disclosed |
| EP-1981858-A2 | 3,5-DI(ARYL OR HETEROARYL)ISOXAZOLES AND 1,2,4-OXADIAZOLES AS S1P1 RECEPTOR AGONISTS, IMMUNOSUPPRESSSIVE AND ANTI-INFLAMMATORY AGENTS | Novartis AG (CH) | 2008-10-22 | — | — | EP | disclosed |
| WO-2007085451-A2 | 3,5-DI (ARYL OR HETEROARYL) ISOXAZOLES AND 1, 2, 4-OXADIAZOLES AS S1P1 RECEPTOR AGONISTS, IMMUNOSUPPRESSSIVE AND ANTI -INFLAMMATORY AGENTS | NOVARTIS AG (CH) | 2007-08-02 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090137636-A1 | Reverse Isoxazoles | CYP3A7, CYP3A4, TBXA2R | ALDH1A1 1644/4885KDM4E 1964/4885L3MBTL1 4878/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.