Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRAS | P01112 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PRNP | P04156 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PLD2 | O14939 | 1/20 | 0.40 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | PYGL | P06737 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 7/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 7/20 | 0.39 |
| ▸ | NHERF1 | O14745 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL5889555 | 0.89 | HRAS (0.47) | HRASESR1ESR2HDAC2KDM4E | |
| SCHEMBL5889686 | 0.85 | HRAS (0.45) | HRASESR1ESR2HDAC2KDM4E | |
| SCHEMBL5889838 | 0.82 | ITGB3 (0.36) | HRASESR1ESR2KDM4EALDH1A1 | |
| SCHEMBL5889840 | 0.80 | HRH3 (0.38) | HRASESR1ESR2KDM4ENPC1 | |
| SCHEMBL5677265 | 0.80 | ITGB3 (0.54) | HDAC2KDM4EPLD2PLD1PYGL | |
| SCHEMBL5680312 | 0.78 | NHERF1 (0.54) | HDAC2KDM4EPLD2PLD1TP53 | |
| SCHEMBL5889537 | 0.78 | KDM4E (0.51) | HDAC2KDM4EPLD2PLD1ITGB3 | |
| SCHEMBL5889571 | 0.77 | HRAS (0.59) | HRASESR1ESR2HDAC2KDM4E | |
| SCHEMBL5679912 | 0.77 | MMP13 (0.62) | HDAC2KDM4ENPC1RAB9AALDH1A1 | |
| SCHEMBL5889689 | 0.77 | NPC1 (0.46) | HRASESR1ESR2HDAC2NPC1 |
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-6906103-B2 | Compounds possessing antibacterial, antifungal or antitumor activity | GENELABS TECHNOLOGIES, INC. (US) | 2005-06-14 | — | — | US | disclosed |
| US-20030119749-A1 | Novel compounds possessing antibacterial, antifungal or antitumor activity | SMITHKLINE BEECHAM CORPORATION | 2003-06-26 | — | — | 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-20030119749-A1 | Novel compounds possessing antibacterial, antifungal or antitumor activity | CYP51A1, MCL1, ERG28 | HRAS 402/4885ESR1 4097/4885ESR2 3377/4885 |
“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.