Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | ALPI | P09923 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | XIAP | P98170 | 1/20 | 0.34 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| (Chloromethyl)Benzene SCHEMBL4998967 | 0.83 | ALDH1A1 (0.42) | ALDH1A1ALPIPKMPTGS1XIAP | |
| Chloromethane SCHEMBL6137819 | 0.82 | THRB (0.34) | ALDH1A1LMNATSHRCYP1A2 | |
| SCHEMBL523846 | 0.82 | THRB (0.36) | ALDH1A1LMNATSHRCYP1A2 | |
| Bromide SCHEMBL7686683 | 0.80 | THRB (0.35) | ALDH1A1LMNATSHRCYP1A2 | |
| Hydrochloric Acid SCHEMBL9636093 | 0.80 | THRB (0.35) | ALDH1A1LMNATSHRCYP1A2 | |
| (Chloromethyl)Benzene SCHEMBL20338131 | 0.80 | PLA2G10 (0.36) | ALDH1A1LMNASMN1; SMN2HPGD | |
| (Chloromethyl)Benzene SCHEMBL29136077 | 0.75 | PLA2G10 (0.42) | ALDH1A1ALPIPKMPTGS1XIAP | |
| (Chloromethyl)Benzene SCHEMBL27525410 | 0.74 | ALDH1A1 (0.48) | ALDH1A1ALPIPKMPTGS1XIAP | |
| (Chloromethyl)Benzene SCHEMBL27959241 | 0.74 | ALDH1A1 (0.48) | ALDH1A1ALPIPKMPTGS1XIAP | |
| (Chloromethyl)Benzene SCHEMBL27624896 | 0.74 | AKR1B1 (0.50) | ALDH1A1LMNASMN1; SMN2KEAP1CYP2C19 |
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-1581697-A1 | CELLULOSIC PRODUCT AND PROCESS FOR ITS PRODUCTION | Akzo Nobel N.V. (NL) | 2005-10-05 | — | — | EP | disclosed |
| WO-2004046464-A1 | CELLULOSIC PRODUCT AND PROCESS FOR ITS PRODUCTION | AKZO NOBEL N.V. (NL) | 2004-06-03 | — | — | WO | disclosed |