Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.35 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.35 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15948351 | 0.95 | TAAR1 (0.40) | RECQLPPARASMN1; SMN2HTTPOLB | |
| SCHEMBL14821149 | 0.91 | GPR35 (0.37) | GPR35TSHRRECQLPPARASMN1; SMN2 | |
| SCHEMBL14821141 | 0.89 | SMN1; SMN2 (0.46) | SMN1; SMN2HTTALDH1A1LMNARAB9A | |
| SCHEMBL14821502 | 0.86 | TAAR1 (0.40) | RECQLPPARASMN1; SMN2HTTPOLB | |
| SCHEMBL38791 | 0.82 | RAB9A (0.40) | GPR35TSHRSMN1; SMN2HTTPOLB | |
| SCHEMBL14821467 | 0.82 | PPARA (0.44) | TSHRRECQLPPARASMN1; SMN2GAA | |
| SCHEMBL15946473 | 0.82 | GPR35 (0.39) | GPR35TSHRRECQLPPARASMN1; SMN2 | |
| SCHEMBL15946451 | 0.81 | TSHR (0.38) | TSHRRECQLPPARASMN1; SMN2GAA | |
| SCHEMBL14821142 | 0.81 | HTT (0.36) | SMN1; SMN2HTTPOLBALDH1A1LMNA | |
| SCHEMBL14821152 | 0.80 | MMP2 (0.37) | SMN1; SMN2HTTGAAPOLBALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2758367-B1 | NOVEL ISOCYANATE AND ISOTHIOCYANATE COMPOUNDS FOR CANCER TREATMENT | DoubleHill GmbH (DE) | 2015-11-18 | — | — | EP | disclosed |
| US-8987316-B2 | Isocyanate and isothiocyanate compounds for cancer treatment | DoubleHill GmbH (DE) | 2015-03-24 | — | — | US | disclosed |
| US-8987316-B2 | Isocyanate and isothiocyanate compounds for cancer treatment | DoubleHill GmbH (DE) | 2015-03-24 | — | — | US | disclosed |
| US-20140228419-A1 | Novel Isocyanate And Isothiocyanate Compounds For Cancer Treatment | DoubleHill GmbH (DE) | 2014-08-14 | — | — | US | disclosed |
| US-20140228419-A1 | Novel Isocyanate And Isothiocyanate Compounds For Cancer Treatment | DoubleHill GmbH (DE) | 2014-08-14 | — | — | 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-20140228419-A1 | Novel Isocyanate And Isothiocyanate Compounds For Cancer Treatment | IDH3A, IDH3B, IDH2 | GPR35 3611/4885TSHR 4259/4885RECQL 3713/4885 |
“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.