Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HTR3A | P46098 | 1/20 | 0.30 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8600179 | 0.92 | ESR1 (0.41) | CYP1A2CYP2C19HTTRECQLKMT2A | |
| SCHEMBL8602224 | 0.91 | ALDH1A1 (0.39) | CYP1A2CYP2C19HTTRECQLKMT2A | |
| SCHEMBL8603141 | 0.89 | CA1 (0.36) | CYP1A2CYP2C19HTTMEN1KMT2A | |
| SCHEMBL8603159 | 0.82 | ALDH1A1 (0.42) | CYP1A2CYP2C19HTTRECQLCYP3A4 | |
| SCHEMBL7795442 | 0.81 | GAA (0.36) | HTTMEN1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL8599291 | 0.79 | LMNA (0.32) | SMN1; SMN2LMNAMAPTHPGD | |
| SCHEMBL8600582 | 0.78 | POLB (0.34) | HTTMEN1KMT2AMAPT | |
| SCHEMBL8603218 | 0.78 | MAPT (0.32) | MEN1KMT2ASMN1; SMN2LMNAMAPT | |
| SCHEMBL8600432 | 0.78 | HTT (0.32) | CYP1A2CYP2C19ACHEHTTRECQL | |
| SCHEMBL8879568 | 0.76 | CYP1A2 (0.49) | CYP1A2CYP2C19HTTRECQLKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0626370-B1 | Process for producing aromatic isothiocyanate derivatives | SUMITOMO CHEMICAL CO (JP) | 1998-02-11 | — | — | EP | disclosed |
| EP-0626370-A1 | Process for producing aromatic isothiocyanate derivatives | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1994-11-30 | — | — | EP | disclosed |