Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3157832 | 0.99 | TP53 (0.39) | TP53SMN1; SMN2CYP3A4ALDH1A1TSHR | |
| SCHEMBL3153870 | 0.94 | MAOB (0.39) | TP53SMN1; SMN2CYP3A4ALDH1A1TSHR | |
| SCHEMBL3153998 | 0.93 | AKR1C3 (0.36) | TP53SMN1; SMN2CYP3A4ALDH1A1TSHR | |
| SCHEMBL3162380 | 0.90 | CYP17A1 (0.35) | TP53SMN1; SMN2CYP3A4ALDH1A1TSHR | |
| SCHEMBL6059333 | 0.89 | ESR1 (0.34) | GRM2 | |
| SCHEMBL3165455 | 0.88 | GRM2 (0.36) | GRM2 | |
| SCHEMBL3162322 | 0.88 | MPL (0.34) | GRM2 | |
| SCHEMBL3172539 | 0.87 | MAOB (0.36) | SMN1; SMN2ALDH1A1MAOBMAPTLMNA | |
| SCHEMBL3162706 | 0.87 | CYP17A1 (0.43) | ALDH1A1CYP17A1GRM2MAPTPTGS2 | |
| SCHEMBL3173665 | 0.87 | GRM2 (0.34) | MAOBGRM2SQOR |
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-7145047-B2 | Naphthalene derivative and liquid crystal composition comprising the same | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2006-12-05 | — | — | US | 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 | TP53 2122/4885SMN1; SMN2 4558/4885CYP3A4 1051/4885 |
“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.