Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | NCK1 | P16333 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL27919130 | 0.98 | CYP2A6 (0.61) | CYP2A6CYP1A2TDP1TRPA1AKR1C3 | |
| SCHEMBL18381464 | 0.93 | CYP2A6 (0.59) | CYP2A6CYP1A2TDP1TRPA1AKR1C3 | |
| SCHEMBL29786773 | 0.93 | CYP1A2 (0.64) | CYP2A6CYP1A2TDP1TRPA1AKR1C3 | |
| SCHEMBL599076 | 0.93 | CYP1A2 (0.64) | CYP2A6CYP1A2TDP1TRPA1AKR1C3 | |
| Ammonia Solution, Strong SCHEMBL27937803 | 0.91 | CYP2A6 (0.61) | CYP2A6CYP1A2TDP1TRPA1AKR1C3 | |
| SCHEMBL29475635 | 0.88 | CYP2A6 (0.76) | CYP2A6CYP1A2TRPA1AKR1C3AKR1C2 | |
| SCHEMBL1878783 | 0.88 | CYP2A6 (0.76) | CYP2A6CYP1A2TRPA1AKR1C3AKR1C2 | |
| SCHEMBL31391091 | 0.83 | CYP2A6 (0.58) | CYP2A6CYP1A2TDP1 | |
| SCHEMBL6890734 | 0.80 | CYP2A6 (0.73) | CYP2A6CYP1A2TRPA1AKR1C3AKR1C2 | |
| SCHEMBL6885287 | 0.80 | CYP2A6 (0.73) | CYP2A6CYP1A2TRPA1AKR1C3AKR1C2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-63023827-A | — | — | None | — | — | JP | disclosed |
| EP-2861604-B1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | GILEAD SCIENCES INC (US) | 2017-03-01 | — | — | EP | disclosed |
| EP-0710684-B1 | Preparation process of polyhydroxycarboxylic acid | MITSUI CHEMICALS INC (JP) | 2001-01-31 | — | — | EP | disclosed |
| US-5770683-A | Preparation process of polyhydroxycarboxylic acid | MITSUI TOATSU CHEMICALS, INC. (JP) | 1998-06-23 | — | — | US | disclosed |
| EP-0710684-A2 | Preparation process of polyhydroxycarboxylic acid | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1996-05-08 | — | — | EP | disclosed |
| EP-0487714-A4 | SELECTIVE ETHYLATION OF NAPHTHALENE COMPOUNDS | — | 1993-07-07 | — | — | EP | disclosed |
| US-5210355-A | Ethylation of 2-methylnaphthalene with tri-, tetra-, or penta-ethylbenzene in the presence of a catalyst | AMOCO CORPORATION (US) | 1993-05-11 | — | — | US | disclosed |
| EP-0487714-A1 | SELECTIVE ETHYLATION OF NAPHTHALENE COMPOUNDS | AMOCO CORPORATION (US) | 1992-06-03 | — | — | EP | disclosed |
| WO-1992000260-A1 | SELECTIVE ETHYLATION OF NAPHTHALENE COMPOUNDS | AMOCO CORPORATION (US) | 1992-01-09 | — | — | WO | disclosed |
| CN-1056485-A | The preparation method of naphthenone and/or cycloalkanol | STAMICARBON (NL) | 1991-11-27 | — | — | CN | disclosed |
| EP-0453021-A1 | Process for preparing a cycloalkanone and/or cycloalkanol | DSM N.V. (NL) | 1991-10-23 | — | — | EP | disclosed |
| JP-S6323827-A | PRODUCTION OF 2-METHYL-6-ETHYLNAPHTHALENE | SUMIKIN CHEM CO LTD | 1988-02-01 | — | — | JP | disclosed |