Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.38 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.33 |
| ▸ | NPC1 | O15118 | 4/20 | 0.33 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 4/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.31 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.31 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1662327 | 0.76 | NPC1 (0.40) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL1661557 | 0.71 | NPC1 (0.43) | SMN1; SMN2NPC1RAB9AHPGDMEN1 | |
| SCHEMBL31515643 | 0.69 | MGAM (0.43) | RAB9AHPGDMEN1KMT2AMAPT | |
| Lithium Ion SCHEMBL32686202 | 0.68 | HRH3 (0.35) | — | |
| SCHEMBL759146 | 0.66 | ALDH1A1 (0.60) | CNR2SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL28605670 | 0.64 | CNR2 (0.62) | CNR2SMN1; SMN2NPC1RAB9AHPGD | |
| Zinc Ion SCHEMBL28336974 | 0.62 | ALDH1A1 (0.60) | CNR2SMN1; SMN2NPC1RAB9AHPGD | |
| Lithium Ion SCHEMBL31024346 | 0.62 | ALDH1A1 (0.60) | CNR2SMN1; SMN2NPC1RAB9AHPGD | |
| Potassium Ion SCHEMBL27233585 | 0.62 | ALDH1A1 (0.60) | CNR2SMN1; SMN2NPC1RAB9AHPGD | |
| Potassium Ion SCHEMBL30880321 | 0.62 | ALDH1A1 (0.60) | CNR2SMN1; SMN2NPC1RAB9AHPGD |
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-2306994-B1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | AMGEN INC (US) | 2013-08-14 | — | — | EP | disclosed |
| EP-2306994-A1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | Amgen, Inc (US) | 2011-04-13 | — | — | EP | disclosed |
| US-7842685-B2 | S1P1 receptor agonists and use thereof | AMGEN INC. (US) | 2010-11-30 | — | — | US | disclosed |
| US-20100029611-A1 | S1P1 receptor agonists and use thereof | AMGEN INC. (US) | 2010-02-04 | — | — | US | disclosed |
| WO-2009154775-A1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | AMGEN INC. (US) | 2009-12-23 | — | — | 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-20100029611-A1 | S1P1 receptor agonists and use thereof | S1PR1, S1PR5, S1PR2 | CA2 3782/4885CA4 4352/4885CNR2 40/4885 |
“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.