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 | |
|---|---|---|---|---|
| ▸ | ADORA1 known ✓ | P30542 | 7/20 | 1.00 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 6/20 | 0.77 |
| ▸ | ADORA2A known ✓ | P29274 | 4/20 | 0.75 |
| ▸ | ADORA2B known ✓ | P29275 | 3/20 | 0.75 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.73 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.73 |
| ▸ | TSHR | P16473 | 3/20 | 0.72 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.72 |
| ▸ | GAA | P10253 | 1/20 | 0.72 |
| ▸ | HTT | P42858 | 1/20 | 0.72 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.72 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.72 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.72 |
| ▸ | MEN1 | O00255 | 1/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.72 |
| ▸ | TP53 | P04637 | 1/20 | 0.72 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.72 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.70 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL120566 | 1.00 | ADORA1 (1.00) | ADORA1ADORA3ADORA2AADORA2BTAS1R3 | |
| SCHEMBL3716662 | 0.93 | ADORA1 (0.86) | ADORA1ADORA3ADORA2AADORA2BTAS1R3 | |
| SCHEMBL32662178 | 0.92 | ADORA1 (0.85) | ADORA1ADORA3ADORA2AADORA2BTAS1R3 | |
| SCHEMBL3716670 | 0.92 | ADORA1 (0.85) | ADORA1ADORA3ADORA2AADORA2BTAS1R3 | |
| SCHEMBL3716677 | 0.92 | ADORA1 (0.85) | ADORA1ADORA3ADORA2AADORA2BTAS1R3 | |
| SCHEMBL32662091 | 0.91 | ADORA1 (0.84) | ADORA1ADORA3ADORA2AADORA2BTAS1R3 | |
| SCHEMBL32662022 | 0.91 | ADORA1 (0.84) | ADORA1ADORA3ADORA2AADORA2BTAS1R3 | |
| SCHEMBL32662392 | 0.91 | ADORA1 (0.84) | ADORA1ADORA3ADORA2AADORA2BTAS1R3 | |
| SCHEMBL30150750 | 0.88 | ADORA1 (1.00) | ADORA1ADORA3ADORA2AADORA2BTAS1R3 | |
| SCHEMBL121756 | 0.86 | ADORA1 (1.00) | ADORA1ADORA3ADORA2AADORA2BRXFP1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8440639-B2 | Combination compositions for reducing intraocular pressure | INOTEK PHARMACEUTICALS CORPORATION (US) | 2013-05-14 | — | — | US | claimed |
| EP-2424546-A1 | METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS | Inotek Pharmaceuticals Corporation (US) | 2012-03-07 | — | — | EP | claimed |
| US-20110245193-A1 | COMBINATION COMPOSITIONS FOR REDUCING INTRAOCULAR PRESSURE | INOTEK PHARMACEUTICALS CORPORATION (US) | 2011-10-06 | — | — | US | claimed |
| US-20100279970-A1 | METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS | INOTEK PHARMACEUTICALS CORPORATION (US) | 2010-11-04 | — | — | US | claimed |
| US-8440639-B2 | Combination compositions for reducing intraocular pressure | INOTEK PHARMACEUTICALS CORPORATION (US) | 2013-05-14 | — | — | US | disclosed |
| EP-2424546-A1 | METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS | Inotek Pharmaceuticals Corporation (US) | 2012-03-07 | — | — | EP | disclosed |
| US-20110245193-A1 | COMBINATION COMPOSITIONS FOR REDUCING INTRAOCULAR PRESSURE | INOTEK PHARMACEUTICALS CORPORATION (US) | 2011-10-06 | — | — | US | disclosed |
| US-20110123622-A1 | OPHTHALMIC FORMULATION AND METHOD OF MANUFACTURE THEREOF | INOTEK PHARMACEUTICALS CORPORATION (US) | 2011-05-26 | — | — | US | disclosed |
| WO-2011053569-A1 | OPHTHALMIC FORMULATION AND METHOD OF MANUFACTURE THEREOF | INOTEK PHARMACEUTICALS CORPORATION (US) | 2011-05-05 | — | — | WO | disclosed |
| US-20100279970-A1 | METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS | INOTEK PHARMACEUTICALS CORPORATION (US) | 2010-11-04 | — | — | US | 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 (3 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-20110123622-A1 | OPHTHALMIC FORMULATION AND METHOD OF MANUFACTURE THEREOF | ADRA1A, ADRA1B, ADRA1D | ADORA1 6/4885ADORA3 20/4885ADORA2A 8/4885 |
| US-20100279970-A1 | METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS | PDE6G, NDUFB7, PDE3A | ADORA1 1957/4885ADORA3 3673/4885ADORA2A 2480/4885 |
| US-20110245193-A1 | COMBINATION COMPOSITIONS FOR REDUCING INTRAOCULAR PRESSURE | ADORA1, ADORA2A, ADORA3 | ADORA1 1/4885ADORA3 3/4885ADORA2A 2/4885 |
“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.