Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| SCHEMBL315383 | 0.96 | SMYD3 (0.48) | SMYD3ALDH1A1LMNAPOLBKMT2A | |
| SCHEMBL315914 | 0.96 | ALDH1A1 (0.49) | SMYD3ALDH1A1LMNAPOLBKMT2A | |
| SCHEMBL315551 | 0.91 | MEN1 (0.55) | SMYD3ALDH1A1LMNAPOLBKMT2A | |
| SCHEMBL315006 | 0.90 | ALDH1A1 (0.56) | SMYD3ALDH1A1LMNAPOLBKMT2A | |
| SCHEMBL316057 | 0.90 | POLB (0.53) | SMYD3ALDH1A1LMNAPOLBKMT2A | |
| SCHEMBL315543 | 0.89 | SMYD3 (0.47) | SMYD3ALDH1A1LMNAPOLBKMT2A | |
| SCHEMBL316324 | 0.89 | ALDH1A1 (0.53) | SMYD3ALDH1A1LMNAPOLBKMT2A | |
| SCHEMBL5242114 | 0.79 | CNR2 (0.46) | LMNAKMT2A | |
| SCHEMBL316160 | 0.79 | ALDH1A1 (0.50) | ALDH1A1LMNAPOLBKMT2ATHRB | |
| SCHEMBL206079 | 0.76 | OPRM1 (0.54) | OPRM1OPRL1 |
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 |