Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.46 |
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CASP1 | P29466 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CD44 | P16070 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | S100B | P04271 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL20380560 | 0.97 | CYP3A4 (0.43) | CYP3A4TDP1TSHRALDH1A1CASP1 | |
| SCHEMBL25144754 | 0.97 | CYP3A4 (0.43) | CYP3A4TDP1TSHRALDH1A1CASP1 | |
| SCHEMBL11815258 | 0.90 | CYP3A4 (0.43) | CYP3A4TDP1TSHRALDH1A1CASP1 | |
| SCHEMBL17979665 | 0.77 | CYP1A2 (0.46) | CYP3A4TDP1TSHRALDH1A1THRB | |
| SCHEMBL17402717 | 0.77 | CYP1A2 (0.52) | CYP3A4TDP1TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL4658237 | 0.77 | ALDH1A1 (0.52) | CYP3A4TDP1TSHRALDH1A1CASP1 | |
| SCHEMBL28490 | 0.77 | POLB (0.39) | CYP3A4TDP1TSHRALDH1A1CASP1 | |
| SCHEMBL31001032 | 0.73 | CYP1A2 (0.44) | CYP3A4TDP1TSHRALDH1A1CASP1 | |
| SCHEMBL597313 | 0.73 | CYP1A2 (0.44) | CYP3A4TDP1TSHRALDH1A1CASP1 | |
| SCHEMBL806350 | 0.73 | CYP3A4 (0.43) | CYP3A4TDP1TSHRALDH1A1CASP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1295864-B1 | PROCESS FOR PREPARATION OF 1,5-DIAMINONAPHTHALENES | MITSUI CHEMICALS POLYURETHANES (JP) | 2008-12-03 | — | — | EP | disclosed |
| US-6737548-B2 | REACTING AN ORTHO-ALKYLNITROBENZENE WITH VINYL COMPOUND IN PRESENCE OF A BASE TO PRODUCE AN INTERMEDIATE, CYCLIZING THE INTERMEDIATE TO FORM 5-NITRO-1-TETRALONE COMPOUND, THEN REACTING WITH AMINE TO PRODUCE DIAMINONAPHTHALENE COMPOUNDS | MITSUI CHEMICALS, INC. (JP) | 2004-05-18 | — | — | US | disclosed |
| US-20030176722-A1 | Process for preparation of 1,5-diaminonaphthalenes | MITSUI CHEMICALS POLYURETHANES, INC. (JP) | 2003-09-18 | — | — | US | disclosed |
| EP-1295864-A1 | PROCESS FOR PREPARATION OF 1,5-DIAMINONAPHTHALENES | Mitsui Chemicals, Inc. (JP) | 2003-03-26 | — | — | 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-20030176722-A1 | Process for preparation of 1,5-diaminonaphthalenes | NOX5, NOX1, DPYD | CYP3A4 154/4885TDP1 234/4885TSHR 4208/4885 |
“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.