Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.42 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 9/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | RXRG | P48443 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3163644 | 0.98 | CYP17A1 (0.40) | CYP17A1CYP11B1CYP21A2PGRHRH3 | |
| SCHEMBL3165954 | 0.91 | MAOB (0.40) | CYP17A1CYP11B1CYP21A2PGRHRH3 | |
| SCHEMBL3168235 | 0.91 | MAOB (0.40) | CYP17A1CYP11B1CYP21A2PGRHRH3 | |
| SCHEMBL3167458 | 0.90 | CYP17A1 (0.35) | CYP17A1CYP11B1CYP21A2PGRHRH3 | |
| SCHEMBL3160592 | 0.88 | TAAR1 (0.51) | CYP17A1CYP11B1CYP21A2HRH3TAAR1 | |
| SCHEMBL6058651 | 0.88 | ESR1 (0.37) | CYP17A1CYP11B1CYP21A2PGRHRH3 | |
| SCHEMBL3167430 | 0.87 | HRH3 (0.42) | CYP17A1CYP11B1HRH3CYP3A4CYP11B2 | |
| SCHEMBL3167005 | 0.87 | TAAR1 (0.49) | CYP17A1CYP11B1TAAR1SLC6A2SLC6A4 | |
| SCHEMBL3262256 | 0.87 | ESR1 (0.37) | CYP17A1CYP11B1CYP21A2HRH3TAAR1 | |
| SCHEMBL3153357 | 0.85 | ESR1 (0.38) | CYP17A1CYP11B1HRH3TAAR1CYP11B2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1452514-A1 | Naphthalene derivative and liquid crystal composition comprising the same | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2004-09-01 | — | — | EP | claimed |
| EP-1452514-B1 | Naphthalene derivative and liquid crystal composition comprising the same | DAINIPPON INK & CHEMICALS (JP) | 2010-03-31 | — | — | EP | disclosed |
| EP-1273562-B1 | Naphthalene derivative and liquid crystal composition comprising the same | DAINIPPON INK & CHEMICALS (JP) | 2009-07-22 | — | — | EP | disclosed |
| US-7145047-B2 | Naphthalene derivative and liquid crystal composition comprising the same | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2006-12-05 | — | — | US | 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 |
| EP-0952135-A1 | Naphthalene derivative and liquid crystal composition comprising the same | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1999-10-27 | — | — | EP | 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 425/4885CYP11B1 1455/4885CYP21A2 876/4885 |
“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.