Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Allylbenzene SCHEMBL28084712 | 0.85 | CYP3A4 (0.47) | CYP2C19ALDH1A1SMN1; SMN2CYP3A4CYP2C9 | |
| Ethylbenzene SCHEMBL27968886 | 0.83 | TP53 (0.50) | CYP2C19ALDH1A1LMNASMN1; SMN2RAB9A | |
| Acrylic Acid SCHEMBL27494455 | 0.82 | CYP2C19 (0.55) | CYP2C19HTTGAAALDH1A1LMNA | |
| Ethylbenzene SCHEMBL28013682 | 0.81 | TP53 (0.48) | CYP2C19ALDH1A1LMNASMN1; SMN2RAB9A | |
| (Chloromethyl)Benzene SCHEMBL27533618 | 0.81 | ALDH1A1 (0.44) | CYP2C19ALDH1A1LMNACYP3A4CYP2C9 | |
| Diphenylmethane SCHEMBL31054093 | 0.81 | LMNA (0.41) | CYP2C19GAAALDH1A1LMNACYP3A4 | |
| Acetic Acid Methyl Ester SCHEMBL23070551 | 0.80 | CYP2C19 (0.53) | CYP2C19HTTGAAALDH1A1LMNA | |
| Acrylic Acid Methyl Ester SCHEMBL28162405 | 0.80 | HCAR2 (0.56) | ALDH1A1LMNASMN1; SMN2RAB9ATHRB | |
| SCHEMBL28007318 | 0.80 | THRB (0.49) | CYP2C19HTTGAAALDH1A1LMNA | |
| Benzylamine SCHEMBL28053660 | 0.80 | LOXL2 (0.49) | CYP2C19ALDH1A1RAB9ACYP3A4CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102666676-B | Film and uses thereof | MITSUI CHEMICALS, INC. (JP) | 2015-11-25 | — | — | CN | disclosed |