Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 4/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | GNRHR | P30968 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL316260 | 0.90 | SMYD3 (0.49) | POLBTHRBKMT2ASMYD3GFER | |
| SCHEMBL316324 | 0.90 | ALDH1A1 (0.53) | POLBKMT2ASMYD3GFERLMNA | |
| SCHEMBL315914 | 0.88 | ALDH1A1 (0.49) | POLBTHRBKMT2ASMYD3LMNA | |
| SCHEMBL315383 | 0.86 | SMYD3 (0.48) | POLBTHRBKMT2ASMYD3GFER | |
| SCHEMBL315551 | 0.86 | MEN1 (0.55) | POLBTHRBKMT2ASMYD3LMNA | |
| SCHEMBL315543 | 0.84 | SMYD3 (0.47) | POLBTHRBKMT2ASMYD3GFER | |
| SCHEMBL315006 | 0.83 | ALDH1A1 (0.56) | POLBKMT2ASMYD3LMNAALDH1A1 | |
| SCHEMBL2976744 | 0.76 | KDM4E (0.45) | POLBKMT2AALDH1A1MAPTMAPK8 | |
| SCHEMBL2985108 | 0.75 | OPRM1 (0.45) | KMT2AALDH1A1MEN1 | |
| SCHEMBL2984841 | 0.75 | LMNA (0.48) | POLBKMT2ALMNAALDH1A1MAPT |
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-8093272-B2 | Heteroaryl substituted cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2012-01-10 | — | — | US | claimed |
| US-8093272-B2 | Heteroaryl substituted cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2012-01-10 | — | — | US | disclosed |