Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.54 |
| ▸ | NPC1 | O15118 | 8/20 | 0.50 |
| ▸ | RAB9A | P51151 | 8/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.45 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3729358 | 1.00 | ESR1 (0.54) | ESR1ESR2NPC1RAB9AKDM4E | |
| SCHEMBL3731794 | 0.90 | NPC1 (0.49) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL3731795 | 0.90 | NPC1 (0.49) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL3731120 | 0.90 | SMN1; SMN2 (0.50) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL3731114 | 0.90 | SMN1; SMN2 (0.50) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL3727000 | 0.88 | HDAC3 (0.49) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL3726997 | 0.88 | HDAC3 (0.49) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL3731478 | 0.85 | KDM4E (0.45) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL3731473 | 0.85 | KDM4E (0.45) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL3729192 | 0.84 | MAPT (0.47) | NPC1RAB9AKDM4EALDH1A1HPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1622866-B1 | AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS | NOVARTIS AG (CH) | 2012-07-25 | — | — | EP | disclosed |
| US-7825260-B2 | Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators | NOVARTIS AG (CH) | 2010-11-02 | — | — | US | disclosed |
| US-20060211656-A1 | Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators | NOVARTIS AG (CH) | 2006-09-21 | — | — | US | disclosed |
| EP-1622866-A1 | AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS | Novartis AG (CH) | 2006-02-08 | — | — | EP | disclosed |
| WO-2004096757-A1 | AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS | NOVARTIS AG (CH) | 2004-11-11 | — | — | 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-20060211656-A1 | Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators | S1PR1, S1PR3, S1PR2 | ESR1 989/4885ESR2 472/4885NPC1 986/4885 |
“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.