Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.73 |
| ▸ | GAA | P10253 | 2/20 | 0.73 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.73 |
| ▸ | THRB | P10828 | 1/20 | 0.73 |
| ▸ | HPGD | P15428 | 6/20 | 0.51 |
| ▸ | RAB9A | P51151 | 6/20 | 0.51 |
| ▸ | NPC1 | O15118 | 5/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | CCR6 | P51684 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | TAS2R38 | P59533 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.46 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL17637643 | 0.93 | MAPT (0.73) | MAPTGAAKDM4ETHRBHPGD | |
| SCHEMBL1006629 | 0.87 | ALDH1A1 (0.54) | MAPTGAAKDM4ETHRBHPGD | |
| SCHEMBL27633944 | 0.86 | CYP1A2 (0.69) | MAPTGAAKDM4ETHRBHPGD | |
| SCHEMBL27654972 | 0.82 | NOX1 (0.56) | MAPTGAAKDM4ETHRBHPGD | |
| SCHEMBL28410091 | 0.81 | RAB9A (0.68) | MAPTGAAKDM4ETHRBHPGD | |
| SCHEMBL28040243 | 0.81 | MAPT (0.53) | MAPTGAAKDM4ETHRBRAB9A | |
| SCHEMBL17637668 | 0.80 | MAPT (0.69) | MAPTGAAKDM4ETHRBHPGD | |
| SCHEMBL16193004 | 0.79 | KDM4E (0.68) | MAPTGAAKDM4ETHRBHPGD | |
| SCHEMBL6037493 | 0.79 | ALDH1A1 (0.75) | MAPTGAAKDM4ETHRBRAB9A | |
| SCHEMBL14181848 | 0.77 | KMT2A (0.71) | MAPTGAAHPGDRAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111320562-B | Method for producing isothiocyanate | 旭化成株式会社 | 2022-08-16 | — | — | CN | disclosed |
| CN-113880741-A | Method for producing isothiocyanate | 旭化成株式会社 | 2022-01-04 | — | — | CN | disclosed |
| CN-111320562-A | Method for producing isothiocyanate | 旭化成株式会社 | 2020-06-23 | — | — | CN | disclosed |
| CN-1824651-A | Method of synthesizing thio methyl carbamater from aniline under normal pressure | DALIAN CHEMICAL PHYSICS INST (CN) | 2006-08-30 | — | — | CN | disclosed |