Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | PHOSPHO1 | Q8TCT1 | 1/20 | 0.40 |
| ▸ | BRD9 | Q9H8M2 | 2/20 | 0.40 |
| ▸ | KDR | P35968 | 3/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL28278239 | 0.81 | CYP19A1 (0.48) | METMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL11557771 | 0.77 | ALDH1A1 (0.55) | HTTMEN1GAAKMT2AALDH1A1 | |
| SCHEMBL2343308 | 0.76 | SOS1 (0.47) | RXFP1HTTNPSR1ABCG2 | |
| SCHEMBL16237984 | 0.71 | PHOSPHO1 (0.44) | RXFP1HTTNPSR1PHOSPHO1BRD9 | |
| SCHEMBL28365059 | 0.69 | MDM2 (0.40) | RXFP1METMAPTALDH1A1 | |
| SCHEMBL27651991 | 0.68 | PHOSPHO1 (0.44) | RXFP1HTTNPSR1PHOSPHO1BRD9 | |
| SCHEMBL29864897 | 0.68 | BRD9 (0.42) | RXFP1HTTNPSR1PHOSPHO1BRD9 | |
| SCHEMBL6107660 | 0.66 | KMT2A (0.58) | KDRPDGFRBMEN1KMT2AMAPT | |
| SCHEMBL28369134 | 0.65 | BIRC5 (0.44) | HTTNPSR1GAAMAPTALDH1A1 | |
| SCHEMBL30417152 | 0.64 | KMT2A (0.38) | MEN1KMT2AMAPTALDH1A1BIRC5 |
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 |
|---|---|---|---|---|---|---|---|
| US-8008491-B2 | poly(adenosine 5'-diphosphate ribose) polymerase inhibitors such as 1-phenyl-2-(piperazin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridine-3-carboxaldehyde, used in the treatment and/or prevention central nervous system and cardiovascular disorders | AVENTIS PHARMACEUTICALS, INC. (US) | 2011-08-30 | — | — | US | disclosed |