Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 2/20 | 0.58 |
| ▸ | COMT | P21964 | 1/20 | 0.48 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | ERN1 | O75460 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | TTR | P02766 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7909511 | 0.81 | ESR1 (0.65) | S100A4GPR35ALDH1A1HPGDMAPK1 | |
| SCHEMBL6339929 | 0.80 | S100A4 (0.55) | S100A4ALDH1A1SMN1; SMN2ERN1TDP1 | |
| SCHEMBL6345493 | 0.80 | COMT (0.48) | S100A4COMTTSHRTP53GAA | |
| SCHEMBL11856095 | 0.80 | ERN1 (0.51) | S100A4GPR35ALDH1A1HPGDMAPK1 | |
| SCHEMBL6349986 | 0.79 | CYP3A4 (0.67) | S100A4COMTGPR35ALDH1A1TSHR | |
| SCHEMBL6348505 | 0.77 | S100A4 (0.48) | S100A4ALDH1A1MAPK1SMN1; SMN2TDP1 | |
| SCHEMBL17233510 | 0.77 | CYP3A4 (0.53) | S100A4COMTGPR35TSHRTHRB | |
| SCHEMBL6340090 | 0.76 | MEN1 (0.50) | S100A4COMTALDH1A1MAPK1SMN1; SMN2 | |
| SCHEMBL6340091 | 0.76 | MEN1 (0.50) | S100A4COMTALDH1A1MAPK1SMN1; SMN2 | |
| SCHEMBL6339877 | 0.75 | COMT (0.47) | S100A4COMTALDH1A1HPGDMAPK1 |
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-6903114-B2 | Derivatives of naphthalene with COMT inhibiting activity | ORION CORPORATION (FI) | 2005-06-07 | — | — | US | disclosed |
| US-20040034011-A1 | Derivatives of naphthalene with comt inhibiting activity | ORION CORPORATION (FI) | 2004-02-19 | — | — | 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-20040034011-A1 | Derivatives of naphthalene with comt inhibiting activity | COMT, CYP1A1, CYP1B1 | S100A4 4776/4885COMT 1/4885GPR35 2904/4885 |
“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.