Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.41 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.39 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.39 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | CHKA | P35790 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.38 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.37 |
| ▸ | NMT1 | P30419 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12654054 | 0.98 | HRH4 (0.51) | HRH4TSHRNPC1RECQLRAB9A | |
| SCHEMBL12654044 | 0.94 | HRH4 (0.47) | HRH4TSHRNPC1RECQLRAB9A | |
| SCHEMBL18398955 | 0.81 | HRH4 (0.59) | HRH4CYP1A2ALDH1A1KDM4EGLA | |
| SCHEMBL12654047 | 0.81 | PIK3CA (0.58) | SMN1; SMN2PIK3CALRRK2 | |
| SCHEMBL19288501 | 0.81 | ADRB1 (0.59) | HRH4PRKD3PRKD1PRKD2ADRB1 | |
| SCHEMBL29453869 | 0.81 | HRH4 (0.59) | HRH4CYP1A2ALDH1A1KDM4EGLA | |
| SCHEMBL24405849 | 0.77 | HRH4 (0.54) | HRH4TSHRNPC1RECQLRAB9A | |
| SCHEMBL11962824 | 0.77 | HRH4 (0.58) | HRH4TSHRNPC1RECQLRAB9A | |
| SCHEMBL4874962 | 0.77 | HRH4 (0.54) | HRH4TSHRNPC1RECQLRAB9A | |
| SCHEMBL19027125 | 0.77 | HRH4 (0.54) | HRH4TSHRNPC1RECQLRAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3038622-B1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | MEDIVATION TECH LLC (US) | 2018-05-30 | — | — | EP | disclosed |