Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | RXRB | P28702 | 1/20 | 0.41 |
| ▸ | RXRG | P48443 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4397704 | 1.00 | KIF11 (0.56) | KIF11TSHRLMNATYRXDH | |
| SCHEMBL55222 | 0.92 | TSHR (0.55) | KIF11TSHRLMNATYRNPC1 | |
| SCHEMBL3423876 | 0.86 | KIF11 (0.70) | KIF11TSHRLMNATYRXDH | |
| SCHEMBL26915 | 0.86 | KIF11 (0.70) | KIF11TSHRLMNATYRXDH | |
| SCHEMBL1931781 | 0.83 | KIF11 (0.67) | KIF11TSHRLMNATYRXDH | |
| SCHEMBL23319641 | 0.78 | KIF11 (0.61) | KIF11TSHRLMNATYRXDH | |
| SCHEMBL4322427 | 0.78 | KIF11 (0.61) | KIF11TSHRLMNATYRXDH | |
| SCHEMBL9577047 | 0.77 | ESR1 (0.54) | KIF11TSHRLMNATYRNPC1 | |
| SCHEMBL424728 | 0.76 | TSHR (0.73) | KIF11TSHRLMNATYRNPC1 | |
| SCHEMBL14677847 | 0.76 | ALDH1A1 (0.38) | ALDH1A1CA12CA9 |
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-2675800-A1 | FUNCTIONALIZED ANTHRACENE-CAPPED OLIGOTHIOPHENES AND ORGANIC SEMICONDUCTORS BASED ON THE SAME, USE THEREOF | Institute Of Chemistry, Chinese Academy Of Sciences (CN) | 2013-12-25 | — | — | EP | disclosed |
| WO-2012079545-A1 | FUNCTIONALIZED ANTHRACENE-CAPPED OLIGOTHIOPHENES AND ORGANIC SEMICONDUCTORS BASED ON THE SAME, USE THEREOF | CHINESE ACADEMY OF SCIENCE INSTITUTE OF CHEMISTRY (CN) | 2012-06-21 | — | — | WO | disclosed |