Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRAS | P01112 | 3/20 | 0.47 |
| ▸ | ESR1 | P03372 | 3/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | PLD2 | O14939 | 1/20 | 0.41 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 10/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 10/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NHERF1 | O14745 | 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 | |
|---|---|---|---|---|
| SCHEMBL5889686 | 0.97 | HRAS (0.45) | HRASESR1ESR2HDAC2ROCK2 | |
| SCHEMBL6500730 | 0.89 | HRAS (0.44) | HRASESR1ESR2HDAC2ROCK2 | |
| SCHEMBL5677265 | 0.81 | ITGB3 (0.54) | HDAC2PLD2PLD1ITGB3ITGA2B | |
| SCHEMBL5889571 | 0.80 | HRAS (0.59) | HRASESR1ESR2HDAC2ROCK2 | |
| SCHEMBL5889689 | 0.79 | NPC1 (0.46) | HRASESR1ESR2HDAC2ROCK2 | |
| SCHEMBL5680312 | 0.78 | NHERF1 (0.54) | HDAC2PLD2PLD1ITGB3ITGA2B | |
| SCHEMBL5889537 | 0.78 | KDM4E (0.51) | HDAC2PLD2PLD1ITGB3ITGA2B | |
| SCHEMBL5679912 | 0.77 | MMP13 (0.62) | HDAC2PLD2PLD1ITGB3ITGA2B | |
| SCHEMBL5896655 | 0.76 | KDM4E (0.51) | HDAC2PLD2PLD1ITGB3ITGA2B | |
| SCHEMBL5889562 | 0.76 | HDAC2 (0.50) | HDAC2ROCK2ITGB3ITGA2BKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7064218-B2 | Aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity | GENELABS TECHNOLOGIES, INC. (US) | 2006-06-20 | — | — | US | disclosed |
| US-20030212113-A1 | Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity | GLAXOSMITHKLINE LLC | 2003-11-13 | — | — | US | disclosed |
| WO-2003057212-A1 | POLYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY | GENELABS TECHNOLOGIES, INC. (US) | 2003-07-17 | — | — | WO | 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-20030212113-A1 | Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity | TYR, CYP51A1, ODC1 | HRAS 1040/4885ESR1 4541/4885ESR2 4085/4885 |
“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.