Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GHSR | Q92847 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL317007 | 0.99 | GHSR (0.62) | GHSRKMT2AALDH1A1MAPTGAA | |
| SCHEMBL315827 | 0.94 | GHSR (0.57) | GHSRKMT2AALDH1A1MAPTKDM4E | |
| SCHEMBL315884 | 0.91 | KMT2A (0.70) | GHSRKMT2AALDH1A1MAPTTDP1 | |
| SCHEMBL315547 | 0.90 | GHSR (0.58) | GHSRKMT2AALDH1A1MAPTGAA | |
| Hydrochloric Acid SCHEMBL314995 | 0.89 | GHSR (0.57) | GHSRKMT2AALDH1A1MAPTGAA | |
| SCHEMBL315885 | 0.88 | OPRM1 (0.51) | KMT2AALDH1A1GAANPSR1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL317416 | 0.87 | OPRM1 (0.53) | KMT2AALDH1A1GAANPSR1L3MBTL1 | |
| SCHEMBL315788 | 0.87 | POLB (0.55) | GHSRKMT2AALDH1A1MAPTLMNA | |
| SCHEMBL314979 | 0.84 | GHSR (0.62) | GHSRKMT2AALDH1A1MAPTGAA | |
| SCHEMBL315615 | 0.84 | KMT2A (0.62) | GHSRKMT2AALDH1A1MAPTTDP1 |
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-8093272-B2 | Heteroaryl substituted cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2012-01-10 | — | — | US | disclosed |