Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | HBB | P68871 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 SCHEMBL28040711 | 0.94 | CYP2A6 (0.47) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| Naphthalene SCHEMBL2263115 | 0.82 | CYP2A6 (0.67) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| Dimethylamine SCHEMBL28410171 | 0.82 | CYP2A6 (0.47) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| Anthracene SCHEMBL5713429 | 0.78 | CYP2A6 (0.64) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| Anthracene SCHEMBL29352043 | 0.78 | CYP2A6 (0.64) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| Anthracene SCHEMBL2833889 | 0.78 | CYP2A6 (0.64) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| Anthracene SCHEMBL7703 | 0.78 | CYP2A6 (0.64) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| Anthracene SCHEMBL23302274 | 0.75 | CYP2A6 (0.58) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| Anthracene SCHEMBL7621971 | 0.75 | CYP2A6 (0.58) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| Anthracene SCHEMBL12988658 | 0.75 | CYP2A6 (0.58) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6500363-B1 | CHARGED AROMATIC DONOR/ACCEPTOR MOIETIES WITH MOLECULAR POLYHEDRAL AND PI-DELOCALIZED-BASED SYSTEMS PROVIDES COMPOUNDS WITH EXCEPTIONAL NLO RESPONSES; BORON CAGE COMPOUNDS | SYRACUSE UNIVERSITY | 2002-12-31 | — | — | US | claimed |
| WO-2001000631-A1 | NEW CLASSES OF HIGH LINEAR AND NONLINEAR RESPONSE COMPOUNDS | NANOWORKS, INC. (US) | 2001-01-04 | — | — | WO | claimed |
| US-5770763-A | POLYARYLCYCLOBUTENES DERIVED FROM 3,6 FUNCTIONALIZED MONO AND DICYCLOBUTABENZENE | THE BOARD OF REGENTS OF THE UNIV. OF MICHIGAN (US) | 1998-06-23 | — | — | US | disclosed |
| US-5552508-A | Difunctional bitricyclodecatriene monomers | UNIVERSITY OF MICHIGAN, THE BOARD OF REGENTS (US) | 1996-09-03 | — | — | US | disclosed |
| US-4719283-A | Preparation of polyimide from bis-imide and benzocyclobutene | HUELS AKTIENGESELLSCHAFT (DE) | 1988-01-12 | — | — | US | disclosed |