Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11320167 | 0.88 | CYP3A4 (0.56) | CYP3A4ALDH1A1CA2KDM4ESMN1; SMN2 | |
| SCHEMBL4186791 | 0.88 | CYP3A4 (0.59) | CYP3A4ALDH1A1CA2KDM4ESMN1; SMN2 | |
| SCHEMBL6481775 | 0.85 | ALDH1A1 (0.56) | CYP3A4ALDH1A1CA2KDM4ESMN1; SMN2 | |
| SCHEMBL12431386 | 0.82 | GAA (0.61) | CYP3A4ALDH1A1LMNACYP1A2MEN1 | |
| SCHEMBL14070555 | 0.81 | CYP3A4 (0.53) | CYP3A4ALDH1A1CA2KDM4ESMN1; SMN2 | |
| SCHEMBL487508 | 0.81 | ALDH1A1 (0.61) | CYP3A4ALDH1A1CA2CYP1A2RAB9A | |
| SCHEMBL10996267 | 0.81 | CYP3A4 (0.53) | CYP3A4ALDH1A1CA2KDM4ESMN1; SMN2 | |
| SCHEMBL13034139 | 0.79 | CYP3A4 (0.50) | CYP3A4ALDH1A1CA2SMN1; SMN2MAPT | |
| SCHEMBL30122259 | 0.79 | TSHR (0.61) | CYP3A4ALDH1A1LMNAPTGS1GAA | |
| SCHEMBL357115 | 0.79 | TSHR (0.61) | CYP3A4ALDH1A1LMNAPTGS1GAA |
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 4 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 |
| EP-1317411-A1 | DERIVATIVES OF NAPHTHALENE WITH COMT INHIBITING ACTIVITY | ORION CORPORATION (FI) | 2003-06-11 | — | — | EP | disclosed |
| WO-2002022551-A1 | DERIVATIVES OF NAPHTHALENE WITH COMT INHIBITING ACTIVITY | ORION CORPORATION (FI) | 2002-03-21 | — | — | 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-20040034011-A1 | Derivatives of naphthalene with comt inhibiting activity | COMT, CYP1A1, CYP1B1 | CYP3A4 33/4885ALDH1A1 39/4885CA2 4573/4885 |
“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.