Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 12/20 | 0.65 |
| ▸ | SLC6A2 | P23975 | 11/20 | 0.65 |
| ▸ | CHRNB4 | P30926 | 6/20 | 0.65 |
| ▸ | CHRNA3 | P32297 | 6/20 | 0.65 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.65 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.65 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.65 |
| ▸ | CHRNA1 | P02708 | 4/20 | 0.65 |
| ▸ | CHRNG | P07510 | 4/20 | 0.65 |
| ▸ | CHRNB1 | P11230 | 4/20 | 0.65 |
| ▸ | CHRND | Q07001 | 4/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.58 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.58 |
| ▸ | DRD3 | P35462 | 1/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.58 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL17644179 | 1.00 | SLC6A3 (0.65) | SLC6A3SLC6A2CHRNB4CHRNA3SLC6A4 | |
| Hydrochloric Acid SCHEMBL17645636 | 0.98 | SLC6A3 (0.63) | SLC6A3SLC6A2CHRNB4CHRNA3SLC6A4 | |
| SCHEMBL7946750 | 0.86 | SLC6A3 (0.60) | SLC6A3SLC6A2CHRNB4CHRNA3SLC6A4 | |
| SCHEMBL5813245 | 0.85 | RAB9A (0.53) | SLC6A3SLC6A2CHRNB4CHRNA3SLC6A4 | |
| SCHEMBL5954545 | 0.84 | SLC6A3 (0.66) | SLC6A3SLC6A2CHRNB4CHRNA3SLC6A4 | |
| SCHEMBL9597385 | 0.84 | SLC6A3 (0.61) | SLC6A3SLC6A2CHRNB4CHRNA3SLC6A4 | |
| SCHEMBL6811754 | 0.84 | ALDH1A1 (0.61) | SLC6A3SLC6A2CHRNB4CHRNA3SLC6A4 | |
| SCHEMBL11037118 | 0.84 | SLC6A2 (0.67) | SLC6A3SLC6A2CHRNB4CHRNA3SLC6A4 | |
| SCHEMBL28360223 | 0.84 | SLC6A2 (0.67) | SLC6A3SLC6A2CHRNB4CHRNA3SLC6A4 | |
| SCHEMBL9796926 | 0.83 | SLC6A3 (0.60) | SLC6A3SLC6A2CHRNB4CHRNA3SLC6A4 |
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-8793078-B2 | Method for predicting activation energy using atomic fingerprint descriptor or atomic descriptor | BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) | 2014-07-29 | — | — | US | disclosed |
| US-20120084012-A1 | METHOD FOR PREDICTING ACTIVATION ENERGY USING ATOMIC FINGERPRINT DESCRIPTOR OR ATOMIC DESCRIPTOR | BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) | 2012-04-05 | — | — | US | disclosed |
| US-20110213558-A1 | METHOD FOR PREDICTING ACTIVATION ENERGY USING AN ATOMIC FINGERPRINT DESCRIPTOR OR AN ATOMIC DESCRIPTOR | BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) | 2011-09-01 | — | — | US | disclosed |
| EP-2354987-A2 | METHOD FOR PREDICTING ACTIVATION ENERGY USING AN ATOMIC FINGERPRINT DESCRIPTOR OR AN ATOMIC DESCRIPTOR | Bioinformatics&Molecular Design Research Center (KR) | 2011-08-10 | — | — | EP | disclosed |
| WO-2010056053-A2 | METHOD FOR PREDICTING ACTIVATION ENERGY USING AN ATOMIC FINGERPRINT DESCRIPTOR OR AN ATOMIC DESCRIPTOR | 사단법인 분자설계연구소 (KR) | 2010-05-20 | — | — | WO | disclosed |