Known targets — ChEMBL curated mechanism
S1PR1S1PR2S1PR3S1PR4S1PR5rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.55 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 8/20 | 0.37 |
| ▸ | CA2 | P00918 | 8/20 | 0.37 |
| ▸ | CA9 | Q16790 | 7/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.37 |
| ▸ | CA7 | P43166 | 3/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.37 |
| ▸ | CA3 | P07451 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | CA6 | P23280 | 2/20 | 0.37 |
| ▸ | CA5A | P35218 | 2/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | XBP1 | P17861 | 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 | |
|---|---|---|---|---|
| SCHEMBL3799151 | 0.92 | GPR35 (0.56) | GPR35ESR1TSHRCYP19A1CA1 | |
| Phosphoric Acid SCHEMBL28062599 | 0.82 | S1PR3 (0.44) | ESR1TSHRHCAR3CA9CA12 | |
| 2,4-Dinitrophenol SCHEMBL3799153 | 0.82 | GPR35 (0.36) | GPR35ESR1TSHRCYP19A1MEN1 | |
| SCHEMBL9699807 | 0.76 | ESR1 (0.48) | GPR35ESR1MEN1LMNAMAPT | |
| SCHEMBL9698600 | 0.76 | MEN1 (0.47) | GPR35CYP19A1MEN1LMNAMAPT | |
| SCHEMBL9699124 | 0.76 | MEN1 (0.47) | GPR35CYP19A1MEN1LMNAMAPT | |
| Ether SCHEMBL10527435 | 0.75 | GPR35 (0.74) | GPR35TSHRCA1CA2CA9 | |
| SCHEMBL10387780 | 0.75 | ESR1 (0.50) | GPR35ESR1MEN1LMNAMAPT | |
| Nitrophenolate SCHEMBL7601509 | 0.74 | ESR1 (0.49) | GPR35ESR1TSHRLMNAKMT2A | |
| SCHEMBL29516730 | 0.74 | GPR35 (1.00) | GPR35TSHRMAPK1TDP1 |
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-2190562-A2 | ENRICHED NANOSTRUCTURE COMPOSITION | Do-Coop Technologies Ltd (IL) | 2010-06-02 | — | — | EP | disclosed |
| WO-2009024976-A2 | ENRICHED NANOSTRUCTURE COMPOSITION | DO-COOP TECHNOLOGIES LTD. (IL) | 2009-02-26 | — | — | WO | disclosed |