Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL13541879 | 0.87 | AKR1B1 (0.40) | AKR1B1KDM1ATSHRTDP1CHRM2 | |
| SCHEMBL3545440 | 0.79 | GRIN1 (0.37) | AKR1B1KDM1ASLC6A4GRIN1GRIN2A | |
| SCHEMBL8054284 | 0.78 | AKR1B1 (0.47) | AKR1B1KDM1ATSHRTDP1HTR2A | |
| SCHEMBL28498656 | 0.77 | GRIN1 (0.45) | KDM1ATDP1SLC6A4GRIN1GRIN2A | |
| SCHEMBL31347965 | 0.77 | TSHR (0.45) | AKR1B1KDM1ATSHRTDP1HTR2A | |
| SCHEMBL15003306 | 0.76 | KDM1A (0.49) | AKR1B1KDM1ATSHRHTR2AHTR2C | |
| SCHEMBL3666780 | 0.74 | MEN1 (0.47) | OPRK1OPRM1 | |
| Hydrochloric Acid SCHEMBL6541839 | 0.73 | KDM1A (0.46) | AKR1B1KDM1ATSHRHTR2AHTR2C | |
| SCHEMBL14544790 | 0.72 | HTR2A (0.55) | AKR1B1KDM1ATSHRTDP1HTR2A | |
| SCHEMBL3549606 | 0.70 | TDP1 (0.39) | AKR1B1KDM1ATSHRTDP1HTR2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7642283-B2 | modulating the activity of the mitochrondrial permeability transition pore complex comprising exposing the complex to a compound such as 6-bromo-3-methylene-chroman-4-one | HOFFMANN-LA ROCHE INC. (US) | 2010-01-05 | — | — | US | disclosed |
| US-7642283-B2 | modulating the activity of the mitochrondrial permeability transition pore complex comprising exposing the complex to a compound such as 6-bromo-3-methylene-chroman-4-one | HOFFMANN-LA ROCHE INC. (US) | 2010-01-05 | — | — | US | disclosed |
| EP-1468995-B1 | MPTP affinity labels | HOFFMANN LA ROCHE (CH) | 2008-05-14 | — | — | EP | disclosed |
| US-7101917-B2 | Mitochrondrial permeability transition pore affinity labels and modulators | HOFFMANN-LA ROCHE INC. (US) | 2006-09-05 | — | — | US | disclosed |
| US-20040220257-A1 | Mitochrondrial permeability transition pore affinity labels and modulators | HOFFMANN-LA ROCHE INC. | 2004-11-04 | — | — | 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 (1 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-20040220257-A1 | Mitochrondrial permeability transition pore affinity labels and modulators | MCU, ATP5PB, MFN2 | AKR1B1 1925/4885KDM1A 4499/4885TSHR 4156/4885 |
“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.