Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 8/20 | 0.44 |
| ▸ | SRC | P12931 | 2/20 | 0.41 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.41 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10541124 | 0.89 | AR (0.47) | ALDH1A1S1PR1KDM4EUSP2AR | |
| SCHEMBL1039728 | 0.87 | AR (0.54) | ALDH1A1S1PR1KDM4EUSP2AR | |
| SCHEMBL27376906 | 0.82 | SRC (0.45) | ALDH1A1KDM4EUSP2ARSRC | |
| SCHEMBL15646608 | 0.82 | KDM4E (0.42) | ALDH1A1S1PR1KDM4EUSP2AR | |
| Acetonitrile SCHEMBL6315753 | 0.81 | TAAR1 (0.47) | ALDH1A1KDM4EUSP2ARTAAR1 | |
| SCHEMBL119203 | 0.81 | TSHR (0.50) | ALDH1A1S1PR1KDM4EUSP2AR | |
| SCHEMBL12650894 | 0.79 | AR (0.40) | ALDH1A1S1PR1KDM4EUSP2AR | |
| SCHEMBL14036532 | 0.79 | POLB (0.54) | ALDH1A1KDM4EUSP2ARIMPDH2 | |
| SCHEMBL2954181 | 0.78 | TAAR1 (0.56) | ALDH1A1KDM4ETAAR1 | |
| SCHEMBL14993875 | 0.78 | ALDH1A1 (0.50) | ALDH1A1KDM4EUSP2ARIMPDH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20120270092-A1 | LITHIUM ION SECONDARY BATTERY AND BATTERY PACK SYSTEM | HITACHI, LTD. | 2012-10-25 | — | — | US | disclosed |
| US-7514563-B2 | Producing cyano-substituted pyridine, pyrrole, furan, thiophene or benzene boranes by reacting a cyanoarene with a BH or a HBBH compound, especially 4,4,5,5-tetramethyl-1,3,2-dioxborolane or its dimer, in the presence of an organo-phosphorus or -nitrogen iridium complex; drug intermediates | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) | 2009-04-07 | — | — | US | disclosed |