Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.62 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | GHSR | Q92847 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL316102 | 0.92 | GHSR (0.56) | KMT2AALDH1A1GHSRLMNANPC1 | |
| SCHEMBL315545 | 0.92 | GHSR (0.59) | KMT2AALDH1A1GHSRLMNANPC1 | |
| SCHEMBL316058 | 0.92 | KMT2A (0.65) | KMT2AGPBAR1ALDH1A1TSHRGHSR | |
| SCHEMBL315598 | 0.88 | KMT2A (0.62) | KMT2AGPBAR1ALDH1A1TSHRGHSR | |
| SCHEMBL316040 | 0.88 | GHSR (0.55) | KMT2AALDH1A1GHSRLMNANPC1 | |
| SCHEMBL316068 | 0.86 | KMT2A (0.60) | KMT2AGPBAR1ALDH1A1TSHRGHSR | |
| SCHEMBL316283 | 0.85 | GHSR (0.62) | KMT2AALDH1A1TSHRGHSRMAPT | |
| SCHEMBL316325 | 0.84 | KMT2A (0.61) | KMT2AGPBAR1ALDH1A1TSHRGHSR | |
| SCHEMBL316299 | 0.84 | KMT2A (0.57) | KMT2AALDH1A1GHSRLMNANPC1 | |
| SCHEMBL315424 | 0.84 | GHSR (0.61) | KMT2AALDH1A1TSHRGHSRLMNA |
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 |