Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 6/20 | 0.49 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.46 |
| ▸ | HSD17B3 | P37058 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | GLA | P06280 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | CASP7 | P55210 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | GRB2 | P62993 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14930073 | 0.83 | HSD17B3 (0.63) | MCL1AKR1B1HSD17B3KDM4ELMNA | |
| SCHEMBL299767 | 0.82 | MCL1 (0.50) | MCL1AKR1B1HSD17B3KDM4ELMNA | |
| SCHEMBL29806171 | 0.81 | MCL1 (0.52) | MCL1AKR1B1HSD17B3KDM4ELMNA | |
| SCHEMBL299768 | 0.81 | MCL1 (0.52) | MCL1AKR1B1HSD17B3KDM4ELMNA | |
| SCHEMBL6403956 | 0.81 | MCL1 (0.49) | MCL1AKR1B1HSD17B3KDM4ELMNA | |
| SCHEMBL5336455 | 0.80 | KDM4E (0.48) | MCL1AKR1B1HSD17B3KDM4ELMNA | |
| SCHEMBL7462235 | 0.80 | MCL1 (0.76) | MCL1AKR1B1HSD17B3KDM4EALDH1A1 | |
| SCHEMBL30350025 | 0.80 | MCL1 (0.76) | MCL1AKR1B1HSD17B3KDM4EALDH1A1 | |
| SCHEMBL17553159 | 0.80 | MCL1 (0.57) | MCL1AKR1B1HSD17B3KDM4EKMT2A | |
| SCHEMBL13058664 | 0.80 | HSD17B3 (0.58) | MCL1AKR1B1HSD17B3KDM4EKMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9625448-B2 | Double caged GABA compounds, bis-CNB-GABA | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2017-04-18 | — | — | US | claimed |
| US-20150266809-A1 | DOUBLE CAGED GABA COMPOUNDS, BIS-CNB-GABA | THE TRUSTEES OF PRINCETON UNIVERSITY | 2015-09-24 | — | — | US | claimed |
| US-9625448-B2 | Double caged GABA compounds, bis-CNB-GABA | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2017-04-18 | — | — | US | disclosed |
| US-20150266809-A1 | DOUBLE CAGED GABA COMPOUNDS, BIS-CNB-GABA | THE TRUSTEES OF PRINCETON UNIVERSITY | 2015-09-24 | — | — | US | disclosed |
| US-20140256015-A1 | CAGED COMPOUND WHICH CAN BE PHOTOACTIVATED SELECTIVELY FOR CELL TYPES | TOHO UNIVERSITY (JP) | 2014-09-11 | — | — | US | disclosed |
| US-20050232000-A1 | Method of making information storage devices by molecular photolithography | LINDSEY JONATHAN S | 2005-10-20 | — | — | US | disclosed |
| WO-2004107407-A2 | METHOD OF MAKING INFORMATION STORAGE DEVICES BY MOLECULAR PHOTOLITHOGRAPHY | NORTH CAROLINA STATE UNIVERSITY (US) | 2004-12-09 | — | — | 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-20150266809-A1 | DOUBLE CAGED GABA COMPOUNDS, BIS-CNB-GABA | GABRB2, GABRB3, GABRB1 | MCL1 3054/4885AKR1B1 2459/4885HSD17B3 2317/4885 |
| US-20140256015-A1 | CAGED COMPOUND WHICH CAN BE PHOTOACTIVATED SELECTIVELY FOR CELL TYPES | CTSK, CTSF, TPX2 | MCL1 3426/4885AKR1B1 3399/4885HSD17B3 4496/4885 |
“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.