Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.74 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.74 |
| ▸ | PDE4A | P27815 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.32 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | GSR | P00390 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Semustine SCHEMBL4959160 | 0.85 | ALDH1A1 (1.00) | ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A | |
| Semustine SCHEMBL4500 | 0.85 | ALDH1A1 (1.00) | ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A | |
| SCHEMBL25859799 | 0.85 | ALDH1A1 (0.74) | ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A | |
| SCHEMBL25860573 | 0.84 | ADRA2A (0.74) | ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A | |
| Semustine SCHEMBL28854924 | 0.84 | ALDH1A1 (0.97) | ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A | |
| Semustine SCHEMBL2350016 | 0.81 | ALDH1A1 (0.92) | ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A | |
| SCHEMBL31452091 | 0.78 | ALDH1A1 (0.64) | ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A | |
| Semustine SCHEMBL8980108 | 0.75 | ALDH1A1 (0.79) | ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A | |
| SCHEMBL25860152 | 0.72 | ADRA2A (0.74) | ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A | |
| Simtrazene SCHEMBL19307237 | 0.71 | SMN1; SMN2 (0.70) | ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230212202-A1 | TREATMENT OF MGMT DEFICIENT CANCER WITH 2-FLUOROETHYL-SUBSTITUTED NITROSOUREAS AND OTHER COMPOUNDS | YALE UNIVERSITY | 2023-07-06 | — | — | 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-20230212202-A1 | TREATMENT OF MGMT DEFICIENT CANCER WITH 2-FLUOROETHYL-SUBSTITUTED NITROSOUREAS AND OTHER COMPOUNDS | MSH2, MGMT, MSH6 | ALDH1A1 227/4885ADRA2A 3990/4885SMN1; SMN2 103/4885 |
“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.