Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 3/20 | 0.47 |
| ▸ | CTSK | P43235 | 2/20 | 0.47 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.40 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13753318 | 0.86 | CTSS (0.62) | CTSSCTSKLMNASLC6A9 | |
| SCHEMBL7223846 | 0.83 | L3MBTL1 (0.49) | LMNABRD4ALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL24252064 | 0.82 | CTSS (0.47) | CTSSCTSKTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL4158170 | 0.80 | TAS1R3 (0.64) | TAS1R3TAS1R1TAS1R2LMNAALDH1A1 | |
| SCHEMBL24252034 | 0.79 | NR1H4 (0.58) | CTSSLMNAALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL13841435 | 0.79 | TAS1R3 (0.50) | TAS1R3TAS1R1TAS1R2LMNABRD4 | |
| SCHEMBL7217875 | 0.78 | ALDH1A1 (0.50) | ALDH1A1HPGDITGB1ITGA4SLC6A9 | |
| SCHEMBL11653801 | 0.78 | P2RX7 (0.57) | TAS1R3TAS1R1TAS1R2LMNABRD4 | |
| SCHEMBL22059502 | 0.78 | TAS1R3 (0.45) | TAS1R3TAS1R1TAS1R2LMNABRD4 | |
| SCHEMBL13145651 | 0.76 | TSHR (0.57) | CTSSCTSKLMNAALDH1A1KMT2A |
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-20220048915-A1 | Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof | SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) | 2022-02-17 | — | — | 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-20220048915-A1 | Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof | MAPK11, WEE1, NOS1 | CTSS 4371/4885CTSK 4541/4885TAS1R3 4830/4885 |
“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.