Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGAV | P06756 | 2/20 | 0.43 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 3/20 | 0.39 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL566412 | 0.81 | CA1 (0.47) | ALDH1A1LMNAHTTKMT2ASMN1; SMN2 | |
| SCHEMBL566411 | 0.81 | CA1 (0.47) | ALDH1A1LMNAHTTKMT2ASMN1; SMN2 | |
| SCHEMBL4070788 | 0.76 | TSHR (0.49) | ITGAVSLC1A3SLC1A2SLC1A1CASP1 | |
| SCHEMBL8851519 | 0.75 | SLC1A3 (0.49) | ITGAVSLC1A3SLC1A2SLC1A1CASP1 | |
| SCHEMBL9001208 | 0.72 | SLC1A3 (0.55) | ITGAVSLC1A3SLC1A2SLC1A1ITGA2 | |
| SCHEMBL8851832 | 0.71 | SLC1A3 (0.54) | ITGAVSLC1A3SLC1A2SLC1A1CASP1 | |
| SCHEMBL3865695 | 0.70 | ALDH1A1 (0.35) | ITGAVCASP1ALDH1A1TSHRLMNA | |
| SCHEMBL20478178 | 0.70 | SLC1A3 (0.53) | ITGAVSLC1A3SLC1A2SLC1A1CASP1 | |
| SCHEMBL15352816 | 0.68 | PKM (0.49) | ITGAVSLC1A3SLC1A2SLC1A1ALDH1A1 | |
| SCHEMBL16825009 | 0.68 | PKM (0.51) | ITGAVSLC1A3SLC1A2SLC1A1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8951997-B2 | Substituted isoquinoline derivative | D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) | 2015-02-10 | — | — | US | disclosed |