Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.67 |
| ▸ | CA9 | Q16790 | 1/20 | 0.67 |
| ▸ | DHCR7 | Q9UBM7 | 3/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.53 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 4/20 | 0.53 |
| ▸ | DRD4 | P21917 | 3/20 | 0.53 |
| ▸ | DRD2 | P14416 | 4/20 | 0.52 |
| ▸ | DRD1 | P21728 | 1/20 | 0.52 |
| ▸ | DRD5 | P21918 | 1/20 | 0.52 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL6369583 | 0.89 | ABCB1 (0.69) | KDM4ETDP1GAAMAPTRAB9A | |
| SCHEMBL3505441 | 0.88 | DHCR7 (0.70) | CA2CA9DHCR7KDM4ETDP1 | |
| SCHEMBL13249664 | 0.86 | ABCB1 (0.75) | CA2CA9DHCR7KDM4ETDP1 | |
| SCHEMBL6369684 | 0.85 | CA2 (0.48) | CA2CA9DHCR7KDM4ETDP1 | |
| Hydrochloric Acid SCHEMBL3509028 | 0.85 | ABCB1 (0.73) | CA2CA9DHCR7KDM4ETDP1 | |
| SCHEMBL14739822 | 0.84 | ABCB1 (0.80) | CA2CA9DHCR7KDM4EGAA | |
| SCHEMBL14739726 | 0.84 | ABCB1 (0.80) | CA2CA9DHCR7KDM4EGAA | |
| SCHEMBL14739918 | 0.84 | ABCB1 (0.80) | CA2CA9DHCR7KDM4EGAA | |
| SCHEMBL25947932 | 0.83 | ABCB1 (0.58) | CA2CA9KDM4ETDP1GAA | |
| SCHEMBL6370878 | 0.83 | ABCB1 (0.58) | CA2CA9KDM4ETDP1GAA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8173672-B2 | Quinolizidinone M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2012-05-08 | — | — | US | disclosed |
| US-20110046145-A1 | Quinolizidinone M1 Receptor Positive Allosteric Modulators | MERCK SHARP & DOHME CORP. (US) | 2011-02-24 | — | — | US | disclosed |
| US-20100217003-A1 | 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES HAVING EFFECTS OF PREVENTING AND TREATING DEGENERATIVE AND INFLAMMATORY DISEASES | UNIVERSITY OF ULSAN FOUNDATION FOR INDUSTRY COOPERATION (KR) | 2010-08-26 | — | — | US | disclosed |
| US-20100217003-A1 | 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES HAVING EFFECTS OF PREVENTING AND TREATING DEGENERATIVE AND INFLAMMATORY DISEASES | UNIVERSITY OF ULSAN FOUNDATION FOR INDUSTRY COOPERATION (KR) | 2010-08-26 | — | — | US | disclosed |
| EP-2117547-A1 | 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES HAVING EFFECTS OF PREVENTING AND TREATING DEGENERATIVE AND INFLAMMATORY DISEASES | University Of Ulsan Foundation For Industry Cooperation (KR) | 2009-11-18 | — | — | EP | disclosed |
| WO-2008069632-A1 | 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES HAVING EFFECTS OF PREVENTING AND TREATING DEGENERATIVE AND INFLAMMATORY DISEASES | UNIVERSITY OF ULSAN FOUNDATION FOR INDUSTRY COOPERATION (KR) | 2008-06-12 | — | — | 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 (2 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-20110046145-A1 | Quinolizidinone M1 Receptor Positive Allosteric Modulators | CHRM1, CHRM2, OPRL1 | CA2 3273/4885CA9 4588/4885DHCR7 2311/4885 |
| US-20100217003-A1 | 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES HAVING EFFECTS OF PREVENTING AND TREATING DEGENERATIVE AND INFLAMMATORY DISEASES | NFKBIA, HMOX1, PTGS1 | CA2 3608/4885CA9 4751/4885DHCR7 1625/4885 |
“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.