Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | GFER | P55789 | 1/20 | 0.56 |
| ▸ | FBP1 | P09467 | 3/20 | 0.53 |
| ▸ | TTK | P33981 | 1/20 | 0.51 |
| ▸ | AKT1 | P31749 | 1/20 | 0.47 |
| ▸ | P4HB | P07237 | 6/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | RAF1 | P04049 | 1/20 | 0.45 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.44 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.44 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | GRK2 | P25098 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21574844 | 0.87 | FBP1 (0.61) | FBP1P4HBGRIN2DGRIN3BGRIN1 | |
| SCHEMBL9186668 | 0.87 | FBP1 (0.61) | FBP1P4HBGRIN2DGRIN3BGRIN1 | |
| SCHEMBL9186663 | 0.87 | FBP1 (0.61) | FBP1P4HBGRIN2DGRIN3BGRIN1 | |
| SCHEMBL2774364 | 0.87 | FBP1 (0.65) | FBP1P4HBRAF1GRIN2DGRIN3B | |
| SCHEMBL1687910 | 0.87 | FBP1 (0.65) | FBP1P4HBRAF1GRIN2DGRIN3B | |
| SCHEMBL30630950 | 0.85 | FBP1 (0.59) | FBP1P4HBGRIN2DGRIN3BGRIN1 | |
| SCHEMBL10661672 | 0.85 | FBP1 (0.59) | FBP1P4HBGRIN2DGRIN3BGRIN1 | |
| SCHEMBL1405480 | 0.85 | FBP1 (0.59) | FBP1P4HBGRIN2DGRIN3BGRIN1 | |
| SCHEMBL1405482 | 0.85 | FBP1 (0.59) | FBP1P4HBGRIN2DGRIN3BGRIN1 | |
| SCHEMBL9190221 | 0.83 | FBP1 (0.57) | MAPTFBP1P4HBGRIN2DGRIN3B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10449174-B2 | Aryl isonitrile compounds as a new class of potent, broad-spectrum antifungal compounds | PURDUE RESEARCH FOUNDATION (US) | 2019-10-22 | — | — | US | disclosed |
| US-20170181997-A1 | ARYL ISONITRILE COMPOUNDS AS A NEW CLASS OF POTENT, BROAD-SPECTRUM ANTIFUNGAL COMPOUNDS | PURDUE RESEARCH FOUNDATION (US) | 2017-06-29 | — | — | 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 (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-10449174-B2 | Aryl isonitrile compounds as a new class of potent, broad-spectrum antifungal compounds | AHR, CYP3A4, NAT1 | NPC1 108/4885MAPT 2612/4885GFER 3454/4885 |
| US-20170181997-A1 | ARYL ISONITRILE COMPOUNDS AS A NEW CLASS OF POTENT, BROAD-SPECTRUM ANTIFUNGAL COMPOUNDS | AHR, CYP3A4, NAT1 | NPC1 108/4885MAPT 2612/4885GFER 3454/4885 |
“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.