Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.37 |
| ▸ | TDP2 | O95551 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.35 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3162706 | 0.94 | CYP17A1 (0.43) | CYP17A1GRM2ALOX5GABRA1GABRB2 | |
| SCHEMBL3168521 | 0.94 | GRM2 (0.41) | CYP17A1GRM2ALOX5GABRA1GABRB2 | |
| SCHEMBL3171328 | 0.92 | GRM2 (0.40) | CYP17A1GRM2ALOX5GABRA1GABRB2 | |
| SCHEMBL3266266 | 0.88 | ESR1 (0.36) | CYP17A1GRM2ERN1 | |
| SCHEMBL3166712 | 0.88 | ALOX5AP (0.32) | CYP17A1NAAA | |
| SCHEMBL3158249 | 0.88 | ESR1 (0.31) | CYP17A1 | |
| SCHEMBL3173288 | 0.88 | PTGS2 (0.38) | CYP17A1GRM2ALOX5GABRA1GABRB2 | |
| SCHEMBL6060275 | 0.87 | CYP17A1 (0.46) | CYP17A1GRM2ALOX5GABRA1GABRB2 | |
| SCHEMBL3153870 | 0.86 | MAOB (0.39) | CYP17A1GRM2ALDH1A1SMN1; SMN2 | |
| SCHEMBL6059490 | 0.85 | ESR1 (0.40) | CYP17A1ERN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7145047-B2 | Naphthalene derivative and liquid crystal composition comprising the same | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2006-12-05 | — | — | US | disclosed |
| EP-0952135-B1 | Naphthalene derivative and liquid crystal composition comprising the same | DAINIPPON INK & CHEMICALS (JP) | 2005-01-05 | — | — | EP | disclosed |
| EP-1452514-A1 | Naphthalene derivative and liquid crystal composition comprising the same | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2004-09-01 | — | — | EP | disclosed |
| US-20030136944-A1 | Naphthalene derivative and liquid crystal composition comprising the same | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2003-07-24 | — | — | US | disclosed |
| EP-1273562-A1 | Naphthalene derivative and liquid crystal composition comprising the same | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2003-01-08 | — | — | EP | disclosed |
| US-6468607-B1 | MISCIBILITY, LARGE BIREFRINGENCE INDEX, NO STRONGLY POLAR GROUP IN ITS MOLECULE AND THUS CAN ALSO BE USED FOR ACTIVE MATRIX DRIVING, WIDE TEMPERATURE RANGE AND REQUIRES A HIGH SPEED RESPONSE AND A LOW VOLTAGE DRIVING | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2002-10-22 | — | — | 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-20030136944-A1 | Naphthalene derivative and liquid crystal composition comprising the same | NLK, NOTCH1, NOTCH4 | CYP17A1 425/4885GRM2 4698/4885ALOX5 359/4885 |
“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.