Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.44 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GNRHR | P30968 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL315914 | 0.91 | ALDH1A1 (0.49) | MEN1KMT2ASMN1; SMN2LMNAPOLB | |
| SCHEMBL316260 | 0.91 | SMYD3 (0.49) | MEN1KMT2ASMN1; SMN2LMNAPOLB | |
| SCHEMBL315006 | 0.90 | ALDH1A1 (0.56) | MEN1KMT2ASMN1; SMN2LMNAPOLB | |
| SCHEMBL315383 | 0.87 | SMYD3 (0.48) | KMT2ALMNAPOLBSMYD3ALDH1A1 | |
| SCHEMBL316057 | 0.86 | POLB (0.53) | MEN1KMT2ASMN1; SMN2LMNAPOLB | |
| SCHEMBL315543 | 0.83 | SMYD3 (0.47) | MEN1KMT2ASMN1; SMN2LMNAPOLB | |
| SCHEMBL316324 | 0.83 | ALDH1A1 (0.53) | MEN1KMT2ASMN1; SMN2LMNAPOLB | |
| SCHEMBL2981330 | 0.78 | POLB (0.51) | MEN1KMT2ASMN1; SMN2LMNAPOLB | |
| SCHEMBL2991474 | 0.77 | DRD4 (0.45) | SSTR1SSTR4POLBOPRK1 | |
| SCHEMBL206736 | 0.76 | HPGD (0.48) | MEN1KMT2ASMN1; SMN2LMNASSTR1 |
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 |