Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11064349 | 0.79 | ERN1 (0.44) | CA1CA2KDM4EALDH1A1LMNA | |
| SCHEMBL11067317 | 0.78 | HTR1A (0.39) | PARP1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL18436554 | 0.76 | ALDH1A1 (0.44) | PARP1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL29934098 | 0.75 | PARP1 (0.40) | PARP1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL19692927 | 0.75 | PARP1 (0.40) | PARP1HTR1AADRA1DADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL28291851 | 0.75 | COMT (0.41) | PARP1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL11061991 | 0.72 | CA1 (0.38) | PARP1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL28472245 | 0.71 | PARP1 (0.41) | PARP1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL8123989 | 0.71 | POLB (0.51) | PARP1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL28815874 | 0.71 | KDM4E (0.51) | PARP1MEN1KMT2ANPC1RAB9A |
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-4447435-A | HYPOTENSIVE AGENTS | THE BOOTS COMPANY PLC (GB) | 1984-05-08 | — | — | US | disclosed |
| US-4442109-A | 3-Methylthiomethyl-and 3-methylsulfinylmethyl-4-quinolinones useful for treating hypertension | THE BOOTS COMPANY LIMITED (GB) | 1984-04-10 | — | — | US | disclosed |