Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.36 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PTGIR | P43119 | 1/20 | 0.36 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12419483 | 0.78 | ESR1 (0.44) | ESR1ESR2PTPN1POLBKMT2A | |
| SCHEMBL8245878 | 0.78 | NPC1 (0.64) | ESR1ESR2SMN1; SMN2POLBNPC1 | |
| SCHEMBL8242543 | 0.76 | HTT (0.42) | ESR1ESR2POLBNPC1RAB9A | |
| SCHEMBL10698132 | 0.74 | POLB (0.39) | ESR1ESR2PTPN1SMN1; SMN2POLB | |
| SCHEMBL2485185 | 0.74 | SCN9A (0.52) | ESR1ESR2KMT2AKCNH2TSHR | |
| SCHEMBL10698137 | 0.74 | SMN1; SMN2 (0.38) | ESR1ESR2PTPN1SMN1; SMN2POLB | |
| SCHEMBL5031160 | 0.74 | ALDH1A1 (0.42) | ESR1ESR2POLBNPC1RAB9A | |
| SCHEMBL7813644 | 0.74 | MEN1 (0.50) | POLBNPC1RAB9AALDH1A1HTT | |
| SCHEMBL12380247 | 0.73 | ESR1 (0.41) | ESR1ESR2ALDH1A1HTTKMT2A | |
| SCHEMBL10364096 | 0.73 | HDAC3 (0.44) | ESR1ESR2ALDH1A1KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1831194-A1 | HETEROCYCLIC MCHr1 ANTAGONISTS AND THEIR USE IN THERAPY | AstraZeneca AB (SE) | 2007-09-12 | — | — | EP | disclosed |
| WO-2006068594-A1 | HETEROCYCLIC MCHr1 ANTAGONISTS AND THEIR USE IN THERAPY | ASTRAZENECA AB (SE) | 2006-06-29 | — | — | WO | disclosed |