Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 7/20 | 0.59 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.59 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.59 |
| ▸ | ITGAL | P20701 | 1/20 | 0.59 |
| ▸ | CA4 | P22748 | 1/20 | 0.59 |
| ▸ | CA6 | P23280 | 1/20 | 0.59 |
| ▸ | ADK | P55263 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GUSB | P08236 | 2/20 | 0.32 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CMA1 | P23946 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Naphthalene SCHEMBL27552802 | 0.81 | CYP2A6 (0.38) | CYP2A6 | |
| Naphthalene SCHEMBL19066813 | 0.81 | CYP2A6 (0.38) | CYP2A6 | |
| Indole SCHEMBL28844097 | 0.79 | AHR (0.94) | AHRTRPA1CA1CA2ITGB2 | |
| Anthracene SCHEMBL28098786 | 0.77 | ALDH1A1 (0.36) | NISCHALDH1A1CYP2A6ALOX15 | |
| Naphthalene SCHEMBL28061632 | 0.77 | CYP2A6 (0.35) | CYP2A6 | |
| Indole SCHEMBL29213120 | 0.77 | AHR (0.90) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL29352896 | 0.77 | — | — | |
| Indole SCHEMBL30463845 | 0.77 | — | — | |
| Indole SCHEMBL30250492 | 0.77 | — | — | |
| Indole SCHEMBL1160186 | 0.77 | AHR (1.00) | AHRTRPA1CA1CA2ITGB2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104529868-B | 2,3-disubstituted indole oxazoline derivates and preparation method thereof | 中国农业大学 | 2016-08-17 | — | — | CN | disclosed |
| CN-104529868-B | 2,3-disubstituted indole oxazoline derivates and preparation method thereof | 中国农业大学 | 2016-08-17 | — | — | CN | disclosed |
| CN-104529868-B | 2,3-disubstituted indole oxazoline derivates and preparation method thereof | 中国农业大学 | 2016-08-17 | — | — | CN | disclosed |
| CN-104529868-A | 2,3-disubstituted indoline derivative and preparation method thereof | UNIV CHINA AGRICULTURAL | 2015-04-22 | — | — | CN | disclosed |
| CN-102161664-B | Photoreaction-based synthesis method of spiro isoquinoline polycyclic heterocyclic compounds | NANJING UNIVERSITY OF TECHNOLOGY | 2013-02-13 | — | — | CN | disclosed |
| CN-102656285-A | Composition for preparing complex, and complex prepared using the same | HEXION SPECIALTY CHEMICALS INC | 2012-09-05 | — | — | CN | disclosed |
| CN-102161664-A | Photoreaction-based synthesis method of spiro isoquinoline polycyclic heterocyclic compounds | NANJING UNIVERSITY OF TECHNOLOGY | 2011-08-24 | — | — | CN | disclosed |
| CN-1064359-C | Diindole heterocyclic compounds, preparing method and use thereof | SHANGHAI INST ORGANIC CHEM (CN) | 2001-04-11 | — | — | CN | disclosed |
| CN-1224015-A | Diindole heterocyclic compounds, preparing method and use thereof | SHANGHAI INST ORGANIC CHEM (CN) | 1999-07-28 | — | — | CN | disclosed |