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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.50 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.48 |
| ▸ | PDK1 known ✓ | Q15118 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | RAB9A | P51151 | 6/20 | 0.57 |
| ▸ | NPC1 | O15118 | 5/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.57 |
| ▸ | HPGD | P15428 | 3/20 | 0.57 |
| ▸ | PKM | P14618 | 2/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.57 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.57 |
| ▸ | RELA | Q04206 | 2/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | CASP1 | P29466 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL28336974 | 0.96 | ALDH1A1 (0.60) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| Potassium Ion SCHEMBL30880321 | 0.96 | ALDH1A1 (0.60) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| Potassium Ion SCHEMBL27233585 | 0.96 | ALDH1A1 (0.60) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| Lithium Ion SCHEMBL31024346 | 0.96 | ALDH1A1 (0.60) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL6319718 | 0.82 | ALDH1A1 (0.66) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL14637286 | 0.81 | ALDH1A1 (0.60) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL28727291 | 0.81 | SMN1; SMN2 (0.65) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL2170056 | 0.81 | ALDH1A1 (0.64) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL836745 | 0.81 | SMN1; SMN2 (0.65) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL369480 | 0.79 | ALDH1A1 (0.62) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120053345-A1 | Indazole Compounds | ABBOTT LABORATORIES (US) | 2012-03-01 | — | — | US | disclosed |
| US-8008481-B2 | Indazole compounds | ABBVIE INC. | 2011-08-30 | — | — | US | disclosed |
| US-20070282101-A1 | Indazole compounds | ABBVIE INC. | 2007-12-06 | — | — | US | disclosed |
| US-6828330-B2 | Central nervous system disorders; schizophrenia; psychological disorders | PHARMACIA & UPJOHN COMPANY | 2004-12-07 | — | — | US | disclosed |
| US-20040224977-A1 | Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease | WALKER DANIEL PATRICK (US) | 2004-11-11 | — | — | US | disclosed |
| EP-1404674-A2 | QUINUCLIDINE-SUBSTITUTED HETEROAROMATIC COMPOUNDS AS LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS | PHARMACIA & UPJOHN COMPANY (US) | 2004-04-07 | — | — | EP | disclosed |
| US-20030073707-A1 | Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease | PHARMACIA & UPJOHN COMPANY | 2003-04-17 | — | — | US | disclosed |
| WO-2002100858-A2 | QUINUCLIDINE-SUBSTITUTED HETEROAROMATIC COMPOUNDS AS LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS | PHARMACIA & UPJOHN COMPANY (US) | 2002-12-19 | — | — | 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 (4 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-20030073707-A1 | Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease | NAT1, UGT1A1, SLC10A1 | THRB 2824/4885ADORA3 363/4885PDK1 2349/4885 |
| US-20070282101-A1 | Indazole compounds | CYP3A43, CYP3A7, UGT1A1 | THRB 2717/4885ADORA3 1401/4885PDK1 271/4885 |
| US-20040224977-A1 | Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease | NAT1, UGT1A1, SLC10A1 | THRB 2824/4885ADORA3 363/4885PDK1 2349/4885 |
| US-20120053345-A1 | Indazole Compounds | CYP3A43, CYP3A7, UGT1A1 | THRB 2717/4885ADORA3 1401/4885PDK1 271/4885 |
“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.