Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KISS1R | Q969F8 | 4/20 | 0.43 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.35 |
| ▸ | CPA1 | P15085 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | MME | P08473 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.31 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL234393 | 0.96 | KISS1R (0.46) | KISS1RSLC1A3SLC1A2CPA1NPC1 | |
| Oxalic Acid SCHEMBL19024409 | 0.90 | KISS1R (0.42) | KISS1RSLC1A3SLC1A2CPA1NPC1 | |
| Heptane SCHEMBL19024431 | 0.85 | KISS1R (0.42) | KISS1RMAPK1MMP8 | |
| Iodomethane SCHEMBL16760124 | 0.78 | TSHR (0.43) | SLC1A3SLC1A2NPC1MAPTMAPK1 | |
| Citric Acid SCHEMBL19024416 | 0.78 | ALDH1A1 (0.46) | KISS1RSLC1A3SLC1A2MAPTMAPK1 | |
| SCHEMBL5672721 | 0.77 | KISS1R (0.61) | KISS1RSLC1A3SLC1A2CPA1MME | |
| SCHEMBL27527680 | 0.74 | KISS1R (0.59) | KISS1RSLC1A3SLC1A2CPA1MME | |
| Ammonia Solution, Strong SCHEMBL27748255 | 0.74 | KISS1R (0.59) | KISS1RSLC1A3SLC1A2CPA1MME | |
| SCHEMBL16512045 | 0.74 | ANPEP (0.30) | — | |
| SCHEMBL18934271 | 0.73 | TSHR (0.46) | SLC1A3SLC1A2NPC1MAPTMAPK1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012081031-A1 | PROCESS FOR PREPARING TETRABENAZINE | ENALTEC LABS PVT. LTD. (IN) | 2012-06-21 | — | — | WO | claimed |
| US-8357697-B2 | Substituted 3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-A]isoquinolin-2-ol compounds and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2013-01-22 | — | — | US | disclosed |
| EP-2081929-B1 | SUBSTITUTED 3-ISOBUTYL-9, 10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLIN-2-OL COMPOUNDS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES INC (US) | 2013-01-09 | — | — | EP | disclosed |
| WO-2012081031-A1 | PROCESS FOR PREPARING TETRABENAZINE | ENALTEC LABS PVT. LTD. (IN) | 2012-06-21 | — | — | WO | disclosed |
| US-20120077839-A1 | SUBSTITUTED 3-ISOBUTYL-9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLIN-2-OL COMPOUNDS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES, INC. (US) | 2012-03-29 | — | — | US | disclosed |
| US-8039627-B2 | Substituted 3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-A]isoquinolin-2-ol compounds and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2011-10-18 | — | — | US | disclosed |
| EP-2081929-A1 | SUBSTITUTED 3-ISOBUTYL-9, 10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDOÝ2,1-A¨ISOQUINOLIN-2-OL COMPOUNDS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES, INC. (US) | 2009-07-29 | — | — | EP | disclosed |
| US-20080167337-A1 | SUBSTITUTED 3-ISOBUTYL-9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLIN-2-OL COMPOUNDS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES, INC. | 2008-07-10 | — | — | US | disclosed |
| WO-2008058261-A1 | SUBSTITUTED 3-ISOBUTYL-9, 10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO[2,1-A] ISOQUINOLIN-2-OL COMPOUNDS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES, INC. (US) | 2008-05-15 | — | — | 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-20080167337-A1 | SUBSTITUTED 3-ISOBUTYL-9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLIN-2-OL COMPOUNDS AND METHODS RELATING THERETO | SLC18A2, SLC6A2, SLC18A3 | KISS1R 2503/4885SLC1A3 74/4885SLC1A2 28/4885 |
| US-20120077839-A1 | SUBSTITUTED 3-ISOBUTYL-9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLIN-2-OL COMPOUNDS AND METHODS RELATING THERETO | SLC18A2, SLC6A2, SLC18A3 | KISS1R 2503/4885SLC1A3 74/4885SLC1A2 28/4885 |
“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.