Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | SHBG | P04278 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 2/20 | 0.31 |
| ▸ | ADH1A | P07327 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL5708613 | 0.88 | ACHE (0.41) | CYP1A2ACHEEPHX1CA1CA2 | |
| Butyl Alcohol SCHEMBL28238691 | 0.87 | ALDH1A1 (0.52) | CYP1A2ACHEEPHX1POLBKMT2A | |
| Butyl Alcohol SCHEMBL28232647 | 0.85 | ALDH1A1 (0.50) | CYP1A2EPHX1POLBKMT2AALDH1A1 | |
| 1,3-Propanediol SCHEMBL21550319 | 0.83 | ACHE (0.38) | CYP1A2ACHEEPHX1CA1CA2 | |
| Cyclohexane SCHEMBL27631080 | 0.80 | CYP1A2 (0.52) | CYP1A2ACHEEPHX1POLBKMT2A | |
| Pentane SCHEMBL10409590 | 0.80 | CYP1A2 (0.52) | CYP1A2ACHEEPHX1SHBGPOLB | |
| Hexane SCHEMBL7972177 | 0.80 | CYP1A2 (0.52) | CYP1A2ACHEEPHX1POLBKMT2A | |
| Cyclohexane SCHEMBL8575428 | 0.80 | CYP1A2 (0.52) | CYP1A2ACHEEPHX1POLBKMT2A | |
| Cyclohexane SCHEMBL27704196 | 0.80 | CYP1A2 (0.52) | CYP1A2ACHEEPHX1POLBKMT2A | |
| Methyl Alcohol SCHEMBL891537 | 0.78 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5186722-A | Catalytic conversion of terpenoid compounds | CANTRELL RESEARCH, INCORPORATED (US) | 1993-02-16 | — | — | US | claimed |
| WO-1993000415-A1 | HYDROCARBON-BASED FUELS FORM BIOMASS | CANTRELL RESEARCH, INCORPORATED (US) | 1993-01-07 | — | — | WO | claimed |
| EP-3655386-A2 | NEW CRYSTALLINE FORMS OF VILANTEROL TRIFENATATE AND PROCESSES FOR THEIR PREPARATION | Hovione Scientia Limited (IE) | 2020-05-27 | — | — | EP | disclosed |
| WO-2019016511-A2 | NEW CRYSTALLINE FORMS OF VILANTEROL TRIFENATATE AND PROCESSES FOR THEIR PREPARATION | HOVIONE SCIENTIA LIMITED (IE) | 2019-01-24 | — | — | WO | disclosed |
| US-8334252-B2 | Perfume-containing hollow body consisting of a polymer matrix | SYMRISE AG (DE) | 2012-12-18 | — | — | US | disclosed |
| US-20070298994-A1 | Use of 3-Mercapto-3-Methyl-Hexan-1-Ol for Use as Malodour Standard | SYMRISE GMBH & CO. KG (DE) | 2007-12-27 | — | — | US | disclosed |