Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | GHSR | Q92847 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL315547 | 0.97 | GHSR (0.58) | POLBGHSRKMT2AMEN1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL314995 | 0.96 | GHSR (0.57) | POLBGHSRKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL315827 | 0.92 | GHSR (0.57) | POLBGHSRKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL315615 | 0.91 | KMT2A (0.62) | GHSRKMT2AALDH1A1MAPTLMNA | |
| Hydrochloric Acid SCHEMBL315938 | 0.90 | KMT2A (0.61) | GHSRKMT2AALDH1A1MAPTLMNA | |
| SCHEMBL316297 | 0.87 | TSHR (0.50) | POLBGHSRKMT2AMEN1ALDH1A1 | |
| SCHEMBL315915 | 0.87 | GHSR (0.63) | GHSRKMT2AALDH1A1MAPTLMNA | |
| Hydrochloric Acid SCHEMBL316635 | 0.86 | TSHR (0.49) | POLBGHSRKMT2AMEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL317007 | 0.86 | GHSR (0.62) | GHSRKMT2AALDH1A1MAPTLMNA | |
| SCHEMBL316534 | 0.84 | KMT2A (0.58) | POLBGHSRKMT2AMEN1SMN1; SMN2 |
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 |