Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | KHK | P50053 | 1/20 | 0.43 |
| ▸ | TRPV4 | Q9HBA0 | 3/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | PGK1 | P00558 | 1/20 | 0.35 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 3/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | FASN | P49327 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3336692 | 0.82 | ALDH1A1 (0.51) | ALDH1A1KHKTRPV4CYP11B2DYRK1A | |
| SCHEMBL799564 | 0.82 | TRPV4 (0.46) | ALDH1A1KHKTRPV4CYP11B2DYRK1A | |
| SCHEMBL25967976 | 0.80 | TRPV4 (0.45) | ALDH1A1KHKTRPV4CYP11B2DYRK1A | |
| SCHEMBL7575800 | 0.80 | ALDH1A1 (0.50) | ALDH1A1KHKTRPV4CYP11B2PGK1 | |
| SCHEMBL10947192 | 0.80 | TRPV4 (0.56) | ALDH1A1KHKTRPV4CYP11B2DYRK1A | |
| SCHEMBL17672794 | 0.80 | TRPV4 (0.56) | ALDH1A1KHKTRPV4CYP11B2CYP11B1 | |
| SCHEMBL30110369 | 0.80 | ALDH1A1 (0.50) | ALDH1A1KHKTRPV4CYP11B2PGK1 | |
| SCHEMBL22560907 | 0.76 | TRPV4 (0.43) | ALDH1A1KHKTRPV4CYP11B2DYRK1A | |
| SCHEMBL7931517 | 0.76 | ALDH1A1 (0.46) | ALDH1A1KHKTRPV4CYP11B2PGK1 | |
| SCHEMBL2476965 | 0.75 | KHK (0.52) | ALDH1A1KHKTRPV4CYP11B2PGK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2370438-A1 | IMIDAZO [1,2A]PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION | Exelixis, Inc. (US) | 2011-10-05 | — | — | EP | disclosed |
| US-20100160369-A1 | S1P1 Agonists and Methods of Making And Using | EXELIXIS, INC. (US) | 2010-06-24 | — | — | US | disclosed |
| US-20100160369-A1 | S1P1 Agonists and Methods of Making And Using | EXELIXIS, INC. (US) | 2010-06-24 | — | — | US | disclosed |
| WO-2010065760-A1 | IMIDAZO [1,2A] PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION | EXELIXIS, INC. (US) | 2010-06-10 | — | — | 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-20100160369-A1 | S1P1 Agonists and Methods of Making And Using | S1PR1, S1PR5, S1PR3 | ALDH1A1 1246/4885KHK 2205/4885TRPV4 585/4885 |
“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.