Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 12/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 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 | |
|---|---|---|---|---|
| SCHEMBL5450869 | 1.00 | CYP1A2 (0.48) | CYP1A2SIGMAR1CTSDBACE1CTSL | |
| SCHEMBL15355135 | 1.00 | CYP1A2 (0.48) | CYP1A2SIGMAR1CTSDBACE1CTSL | |
| SCHEMBL22545547 | 0.81 | CYP1A2 (0.35) | CYP1A2SIGMAR1 | |
| SCHEMBL20279224 | 0.79 | CYP1A2 (0.42) | CYP1A2SIGMAR1 | |
| SCHEMBL4814952 | 0.76 | CYP1A2 (0.36) | CYP1A2SIGMAR1 | |
| SCHEMBL3624651 | 0.74 | — | — | |
| SCHEMBL5182438 | 0.74 | — | — | |
| SCHEMBL11430167 | 0.73 | OPRM1 (0.33) | CYP1A2SIGMAR1 | |
| SCHEMBL3835776 | 0.71 | CYP1A2 (0.46) | CYP1A2SIGMAR1 | |
| SCHEMBL29058093 | 0.71 | CYP1A2 (0.34) | CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113880741-A | Method for producing isothiocyanate | 旭化成株式会社 | 2022-01-04 | — | — | CN | disclosed |
| US-20050142490-A1 | Optical recording material and optical recording medium | TDK CORPORATION (JP) | 2005-06-30 | — | — | US | disclosed |
| EP-1548723-A2 | Optical recording material and optical recording medium | TDK Corporation (JP) | 2005-06-29 | — | — | EP | disclosed |